data_1ujs_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 1ujs _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.956 0.408 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 41.9 tttt -57.89 150.53 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mm -76.19 108.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.5 m-85 -120.47 147.42 45.33 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.8 140.64 43.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 26' ' ' LEU . 53.2 t80 -46.85 -48.33 21.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -40.96 -69.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.3 mt -82.14 10.35 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.6 mt -72.72 169.47 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 80' ' ' ARG . 9.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 HD12 ' NE ' ' A' ' 41' ' ' ARG . 16.4 mt -62.39 130.02 92.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.8 -173.94 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -101.38 12.13 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -124.13 16.53 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.55 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m -104.0 153.3 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.0 t0 -106.18 109.94 22.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' NE ' HD12 ' A' ' 35' ' ' LEU . 25.9 mmt-85 -53.01 -14.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 36.7 p -102.04 -23.36 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -125.83 30.71 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.5 mt -54.46 -39.16 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.9 pm0 -61.45 -35.09 76.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 69.6 mtt180 -63.62 -17.98 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 76.3 m-70 -82.53 -3.74 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.7 mt -91.54 130.65 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.0 p -62.96 139.47 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -40.28 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.7 mm-40 -74.85 -47.79 28.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 mm-40 -82.18 -53.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' GLU . 25.6 t80 -37.7 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -86.25 -40.16 15.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.8 mt-30 -64.38 -16.34 62.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.73 -57.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -80.81 -33.87 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.52 24.6 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.553 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.91 175.72 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 69.0 p -95.52 140.65 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 62' ' ' SER . 2.4 tp -38.85 -39.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 61' ' ' ILE . 42.3 t -56.8 -42.47 79.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.9 mm-40 -78.76 -35.4 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -59.77 -45.42 92.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.02 -16.86 63.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.49 1.44 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -84.84 175.92 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' HB1' ' NE1' ' A' ' 70' ' ' TRP . . . -82.78 141.5 32.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.5 tp -37.91 -53.48 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -55.29 -40.73 71.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 23.8 tptt -68.54 -47.76 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -64.16 -29.08 70.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.8 m-20 -95.28 -15.87 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 18.9 tt0 -86.42 -43.97 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.19 -54.59 44.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 49.9 mtpt -49.07 -41.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -60.48 -33.67 72.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -83.91 -22.24 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.84 6.89 47.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' VAL . 12.2 mtt180 59.61 32.17 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.39 14.49 14.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.7 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 28.6 tttp -55.69 133.49 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.91 110.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 43.1 m-85 -121.59 147.46 47.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 142.5 47.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE1' HD23 ' A' ' 26' ' ' LEU . 33.3 t80 -50.18 -45.43 53.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -43.5 -65.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.631 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.17 -21.58 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.8 mt -82.48 10.31 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 22' ' ' TYR . 34.9 mt -71.92 167.42 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.08 127.56 93.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.78 -173.36 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -102.0 11.55 38.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.05 17.48 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.553 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -103.41 154.22 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.7 m-20 -107.43 107.81 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -17.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.3 p -101.87 -21.82 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -122.92 25.89 8.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.8 mt -52.04 -43.03 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 76' ' ' LYS . 16.8 pt-20 -59.24 -33.81 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -65.57 -20.64 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 75.3 m-70 -79.54 -2.48 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD22 ' CA ' ' A' ' 22' ' ' TYR . 16.8 mt -93.53 128.77 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 90.5 p -62.23 138.8 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -39.86 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 10.3 mt-10 -75.07 -46.21 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.2 mm-40 -83.52 -53.8 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 30.1 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.62 -40.03 17.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-30 -64.49 -16.38 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.7 t -97.92 -57.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -81.5 -33.6 31.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.77 23.25 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.502 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.6 ptp -164.55 175.08 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.0 p -94.93 141.79 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.427 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.3 tp -39.18 -39.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 30.4 t -57.22 -42.43 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.5 mt-10 -78.73 -34.95 45.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.8 t80 -60.64 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.75 -16.77 52.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -90.43 3.55 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.14 178.01 7.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -85.25 140.24 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -37.37 -48.97 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.561 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.5 p-90 -60.2 -40.26 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.7 tptt -69.26 -44.8 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -65.06 -28.22 69.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.424 ' ND2' HD23 ' A' ' 69' ' ' LEU . 32.7 m-80 -95.62 -18.48 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.19 -43.0 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.23 -53.09 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.6 mtpt -50.73 -40.63 55.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 68.8 mttt -61.24 -35.09 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -81.83 -18.26 44.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.25 11.47 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 7.1 mtp85 55.06 31.99 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -116.99 13.22 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 4.7 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.8 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 42.3 tttt -59.46 145.43 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 mm -71.28 108.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 49.4 m-85 -121.17 148.41 49.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 146.45 60.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 32.2 t80 -55.35 -41.89 73.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -46.64 -63.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.73 -21.59 62.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 24' ' ' LEU . 20.1 mt -83.27 11.26 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.55 ' CD2' ' CE1' ' A' ' 22' ' ' TYR . 41.3 mt -71.67 168.43 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.83 131.05 48.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -100.3 10.17 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -104.67 156.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.19 107.84 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -51.33 -16.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 42.6 p -102.08 -19.92 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -127.28 28.31 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.4 mt -53.51 -38.92 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 7.6 pm0 -61.08 -34.42 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 41.9 mtt180 -64.45 -18.68 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -82.05 -3.59 54.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.2 mt -91.91 128.96 37.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLU . 46.1 p -61.21 139.75 58.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -40.89 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mt-10 -75.56 -47.57 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.0 mm-40 -82.38 -53.19 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 30.6 t80 -37.5 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -85.36 -39.79 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' GLU . 21.4 mt-30 -64.5 -15.79 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -98.96 -57.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -80.87 -32.74 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.25 23.94 15.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.497 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.64 176.26 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' GLU . 56.3 p -96.96 141.9 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 3.3 tp -39.37 -38.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 20.3 t -57.11 -42.34 80.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' THR . 82.7 mt-10 -79.68 -34.99 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.88 -50.78 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.87 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -88.83 2.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.92 178.39 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.92 139.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 HD12 ' ND2' ' A' ' 73' ' ' ASN . 3.5 tm? -37.87 -49.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 51.3 p-90 -59.76 -40.39 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.1 tptt -68.69 -45.01 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -64.57 -28.26 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.443 ' ND2' HD12 ' A' ' 69' ' ' LEU . 31.7 m-80 -95.69 -18.76 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -83.74 -42.99 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.43 -54.13 49.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 51.1 mtpt -50.84 -39.83 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -61.26 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.31 -19.74 33.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.5 10.42 41.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.1 mtt180 55.91 32.69 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -117.58 11.62 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 10.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 11.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.979 0.419 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 61.7 tttt -63.03 132.66 52.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.01 111.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 46.3 m-85 -122.88 148.76 54.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.703 0.763 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.79 142.65 48.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.38 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE1' HD22 ' A' ' 26' ' ' LEU . 27.0 t80 -50.24 -46.0 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -43.07 -66.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.633 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.98 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.479 ' N ' HD11 ' A' ' 24' ' ' LEU . 13.1 mt -82.21 9.73 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 22' ' ' TYR . 36.6 mt -71.07 169.86 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.816 0.341 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.75 128.96 14.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.493 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.73 -174.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.27 39.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.76 17.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -103.5 155.04 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.3 t0 -107.43 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -14.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.9 p -102.39 -24.21 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -123.7 28.78 6.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' ASP . 69.7 mt -51.81 -39.56 58.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 13.2 pt-20 -61.84 -34.56 76.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -64.32 -17.63 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 74.8 m-70 -82.76 -0.41 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.9 mt -95.36 122.99 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.8 p -59.67 140.42 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -39.2 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.3 mt-10 -72.29 -50.81 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -81.95 -53.52 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 26.7 t80 -36.28 -33.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.36 -40.56 17.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.7 mt-30 -64.51 -16.45 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG11 ' CD2' ' A' ' 22' ' ' TYR . 57.7 t -97.29 -57.37 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -81.95 -33.91 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.17 24.11 11.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.492 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -165.1 174.52 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.2 p -93.99 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.4 tp -39.29 -40.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 1.9 m -57.36 -41.92 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' THR . 57.0 mm-40 -78.9 -34.92 44.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 68.0 t80 -59.59 -49.12 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.82 -12.95 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -93.81 3.9 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -88.27 176.2 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' HB1' ' NE1' ' A' ' 70' ' ' TRP . . . -81.99 141.21 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.38 -53.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.8 p-90 -55.57 -41.2 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.6 tptt -67.98 -47.62 68.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -64.59 -29.59 70.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.452 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 93.0 m-20 -94.89 -15.2 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 3.8 tp10 -87.32 -43.38 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.6 -54.02 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.6 mtpt -50.21 -37.47 35.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -63.0 -33.66 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -85.1 -18.13 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.24 10.08 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 9.5 mtt85 56.55 30.12 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -116.39 14.68 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.435 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 11.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -50.74 152.0 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.21 108.77 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -119.07 147.42 42.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 142.43 47.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 44.8 t80 -50.15 -45.32 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -43.52 -65.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.627 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.5 -21.54 63.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.6 mt -82.79 10.37 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 ' CZ ' ' A' ' 22' ' ' TYR . 33.3 mt -71.25 169.81 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.95 128.61 77.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.77 -172.47 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -103.41 11.11 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -124.51 19.01 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.553 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -103.25 153.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.42 107.72 18.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.4 -16.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -102.59 -21.07 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -124.93 26.72 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ASP . 73.1 mt -52.39 -39.38 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.0 pt-20 -61.13 -33.85 74.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.33 -18.83 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.5 m-70 -81.1 -3.08 50.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.483 HD22 ' CA ' ' A' ' 22' ' ' TYR . 17.7 mt -94.11 125.23 38.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.28 148.97 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -51.21 -17.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -82.51 -39.2 22.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 4.1 mt-10 -91.88 -52.8 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.414 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 25.2 t80 -37.75 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -86.44 -39.89 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.6 mt-30 -64.32 -16.06 61.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.39 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -81.31 -33.74 32.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.84 22.29 16.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.494 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.6 ptp -162.68 175.69 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 33.9 p -95.96 140.96 29.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.414 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.3 tp -38.87 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.9 t -57.13 -42.68 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 25.3 mt-10 -78.86 -34.94 44.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.0 t80 -59.78 -46.92 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.81 -18.4 62.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -89.9 3.48 52.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.09 176.92 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -82.06 139.79 34.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 69' ' ' LEU . 3.4 tm? -38.21 -50.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.489 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.7 p-90 -58.85 -39.6 81.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.4 tptt -68.82 -45.67 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -96.06 -18.93 19.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -84.39 -43.17 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.66 -55.66 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -49.85 -38.14 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -61.87 -34.01 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -84.32 -18.36 36.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.34 10.29 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.9 mtt180 56.1 32.14 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 22' ' ' TYR . 17.9 mt -117.47 14.95 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.7 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 22.5 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.903 0.382 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -53.56 138.12 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 111.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -120.72 147.32 45.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.76 142.26 47.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HD23 ' A' ' 26' ' ' LEU . 41.4 t80 -49.44 -46.82 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -42.28 -67.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.38 -22.07 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.0 mt -81.99 9.71 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD23 ' CE2' ' A' ' 22' ' ' TYR . 35.9 mt -71.28 168.56 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 80' ' ' ARG . 7.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 1.5 tmt_? . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.844 0.354 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.21 129.49 83.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.85 -175.59 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.285 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 14.68 31.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -127.27 16.36 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.568 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -101.43 154.7 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m-20 -107.64 105.24 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -50.06 -17.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -126.83 29.72 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 91.8 mt -54.1 -41.05 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.3 pm0 -59.41 -32.4 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 61.9 mtt180 -66.72 -19.71 65.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 72.6 m-70 -80.01 -1.79 41.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -95.7 124.87 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.8 p -60.36 139.43 57.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -38.94 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.4 mt-10 -71.32 -50.26 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.0 mt-10 -82.38 -53.58 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 23.4 t80 -36.48 -33.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -84.18 -40.25 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.5 mt-30 -64.48 -16.64 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.4 -57.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.27 -33.74 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 23.84 13.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.493 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -164.86 174.95 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -94.63 141.11 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 tp -39.24 -39.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.1 t -57.39 -42.29 81.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 19.4 mm-40 -78.94 -35.04 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.47 -49.56 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -18.42 51.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -89.42 2.56 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.31 176.72 8.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.16 139.5 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD22 ' ND2' ' A' ' 73' ' ' ASN . 3.2 tm? -38.37 -51.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -58.75 -39.37 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.3 tptt -68.98 -45.66 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -63.65 -28.73 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.473 ' ND2' HD22 ' A' ' 69' ' ' LEU . 32.1 m-80 -95.3 -18.52 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.03 -43.41 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.15 -54.11 49.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.1 mtpt -51.45 -37.78 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -62.87 -35.01 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.13 -18.27 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.33 10.5 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER 55.03 32.09 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -117.22 12.86 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.2 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 14.7 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.977 0.418 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 70.9 tttt -56.83 142.13 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.5 mm -68.58 108.06 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 44.9 m-85 -118.99 147.15 41.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.713 0.768 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 140.73 43.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' HD22 ' A' ' 26' ' ' LEU . 45.7 t80 -47.44 -47.66 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -41.46 -68.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.634 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.37 -21.81 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.9 mt -82.48 10.64 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 22' ' ' TYR . 35.8 mt -72.76 170.27 14.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD11 ' NE ' ' A' ' 41' ' ' ARG . 19.7 mt -66.92 128.74 93.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.76 -172.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -103.24 14.0 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -127.12 17.18 7.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.56 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -102.59 157.5 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.2 t0 -110.77 109.84 20.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NE ' HD11 ' A' ' 35' ' ' LEU . 7.3 mmt85 -50.84 -16.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -102.34 -21.91 14.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.18 25.72 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.5 mt -52.55 -38.87 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.3 pt-20 -63.3 -35.81 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -63.2 -19.55 64.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 80.6 m-70 -80.58 -2.42 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -94.91 129.17 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.5 p -62.03 139.06 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -40.19 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.9 mt-10 -75.44 -46.83 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.5 mm-40 -82.96 -53.11 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' GLU . 16.0 t80 -37.73 -32.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.34 -39.83 18.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -64.47 -16.25 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 22' ' ' TYR . 64.7 t -97.5 -58.49 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -80.64 -33.19 35.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.53 23.48 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.527 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.6 173.76 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.5 p -93.72 141.56 28.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 62' ' ' SER . 3.2 tp -38.76 -39.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 61' ' ' ILE . 10.6 t -56.96 -42.7 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.4 mm-40 -78.58 -34.51 46.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.5 t80 -60.62 -46.69 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.9 -16.8 62.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -91.05 5.28 49.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.0 mt -88.31 177.04 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 70' ' ' TRP . . . -82.04 140.42 33.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.81 -49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.494 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.4 p-90 -59.67 -39.7 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.9 tptt -69.1 -45.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -65.03 -28.27 69.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' HD23 ' A' ' 69' ' ' LEU . 31.0 m-80 -95.83 -17.37 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.47 -42.56 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -53.89 51.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 52.6 mtpt -51.14 -41.95 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -58.86 -34.59 71.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.57 -25.04 33.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.84 12.13 29.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.8 OUTLIER 54.07 33.77 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.3 mt -117.15 11.84 14.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 5.6 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 21.0 ttmt -56.8 147.64 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.63 106.24 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 49.7 m-85 -116.71 147.55 40.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.83 141.88 46.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 26' ' ' LEU . 37.1 t80 -50.03 -45.71 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.4 pt-20 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.643 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.68 -22.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.3 mt -82.11 10.64 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 22' ' ' TYR . 47.1 mt -73.16 168.86 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.17 128.75 12.46 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -101.46 11.33 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -123.97 17.77 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -104.07 156.94 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -108.64 107.42 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -50.69 -17.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.44 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 78.3 p -102.28 -21.77 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -124.35 26.3 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.9 mt -50.89 -40.92 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.584 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 pt-20 -60.57 -35.32 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -62.79 -19.3 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 79.7 m-70 -81.56 -3.73 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.4 mt -92.59 129.99 38.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLU . 30.9 p -63.65 137.84 58.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -38.63 -26.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.6 mt-10 -71.91 -47.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.2 mm-40 -84.76 -53.43 5.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 61' ' ' ILE . 38.5 t80 -36.81 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.0 t80 -83.46 -40.87 18.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.7 mt-30 -63.72 -16.24 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.76 -58.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -80.67 -33.67 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.11 23.5 12.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.492 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.54 175.19 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.345 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.2 p -94.53 141.34 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.438 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.9 tp -39.31 -39.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.0 t -57.64 -42.02 82.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 9.3 mm-40 -79.21 -34.75 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 64.6 t80 -60.49 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -62.33 -16.31 53.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -91.06 3.52 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.45 177.35 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -83.16 140.58 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 HD21 ' ND2' ' A' ' 73' ' ' ASN . 3.3 tm? -38.42 -50.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.526 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.8 p-90 -58.9 -41.48 87.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.526 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -67.19 -45.15 77.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -64.5 -28.24 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.464 ' ND2' HD21 ' A' ' 69' ' ' LEU . 24.5 m-80 -94.3 -19.74 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.21 -42.64 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.7 -55.1 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.0 mtpt -48.8 -38.77 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.16 -33.64 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.15 -17.8 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.24 11.05 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' VAL . 12.8 mtt85 55.48 31.53 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -116.58 13.84 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 3.4 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 27.8 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 49.3 tttt -48.79 141.73 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mm -72.8 110.45 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.5 m-85 -120.84 147.07 45.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.71 141.92 46.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' HD22 ' A' ' 26' ' ' LEU . 41.8 t80 -48.34 -47.75 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -41.49 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.95 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.98 9.87 7.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 22' ' ' TYR . 37.6 mt -71.77 168.01 18.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.02 127.58 93.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.74 -172.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -1.97 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -109.34 19.87 18.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.56 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -106.69 154.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.03 105.14 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -50.51 -17.22 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.6 p -99.26 -22.12 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -127.93 32.29 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.4 mt -56.63 -39.98 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.2 pm0 -59.26 -31.06 68.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 65.3 mtt180 -69.6 -17.38 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.8 m-70 -82.72 -1.81 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -93.95 128.18 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 59.3 p -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -39.62 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 17.3 mt-10 -75.22 -45.57 39.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.6 mm-40 -83.33 -53.99 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 29.2 t80 -37.04 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -83.33 -40.32 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.4 mt-30 -64.24 -16.55 62.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.68 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -80.91 -33.74 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 23.87 12.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.499 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.09 175.44 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.0 p -95.15 140.63 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.464 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.7 tp -39.0 -39.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.404 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 21.5 t -57.36 -42.45 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 47.4 mm-40 -79.12 -34.76 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.55 -48.37 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -18.27 56.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -89.48 3.6 51.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.3 mt -84.91 176.24 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -80.91 137.96 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 HD12 ' ND2' ' A' ' 73' ' ' ASN . 3.2 tm? -37.09 -50.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 47.2 p-90 -59.36 -39.36 83.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 25.5 tptt -68.96 -45.58 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -63.09 -29.38 70.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.474 ' ND2' HD12 ' A' ' 69' ' ' LEU . 32.3 m-80 -94.13 -19.64 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.48 -43.83 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.56 -54.91 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.9 mtpt -51.24 -38.15 50.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -62.4 -36.11 81.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.41 -18.35 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.71 9.46 42.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.5 mtt180 56.23 30.95 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.9 mt -117.12 14.61 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 6.4 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 20.7 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.947 0.403 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -53.04 139.41 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -69.68 108.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 36' ' ' PRO . 33.1 m-85 -118.21 148.69 44.28 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.66 0.743 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 139.12 39.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CE1' HG12 ' A' ' 56' ' ' VAL . 48.4 t80 -47.59 -46.25 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.5 pt-20 -42.97 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.65 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.11 -22.18 64.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.9 mt -82.99 11.68 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 22' ' ' TYR . 39.7 mt -73.0 167.66 20.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 80' ' ' ARG . 3.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -46.18 128.78 7.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -100.69 10.6 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -123.12 17.92 9.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.568 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -104.2 158.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -109.19 108.81 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.411 ' NH1' HG23 ' A' ' 39' ' ' VAL . 9.6 mpt_? -52.75 -15.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.0 p -104.4 -19.49 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -124.93 24.45 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ASP . 61.8 mt -50.82 -41.46 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 4.6 pm0 -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 20.7 mtt85 -66.72 -17.75 65.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 70.9 m-70 -81.52 -3.89 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CA ' ' A' ' 22' ' ' TYR . 20.7 mt -94.51 129.82 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 150.46 41.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -51.81 -17.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.96 -41.28 23.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.0 mm-40 -91.57 -52.75 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' GLU . 30.0 t80 -37.91 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.77 -40.19 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.2 mt-30 -64.92 -16.17 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 22' ' ' TYR . 58.0 t -97.47 -57.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -82.18 -33.79 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 24.5 12.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.92 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.8 p -96.56 141.18 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' SER . 3.0 tp -38.76 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.9 t -56.57 -42.88 79.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' THR . 39.4 mm-40 -78.98 -35.08 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -59.63 -51.58 69.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -18.64 37.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -89.16 3.71 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.91 177.65 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.68 138.97 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 HD12 ' ND2' ' A' ' 73' ' ' ASN . 3.3 tm? -37.64 -49.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.8 p-90 -59.76 -40.17 87.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.501 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.2 tptt -68.59 -45.28 72.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -63.46 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.478 ' ND2' HD12 ' A' ' 69' ' ' LEU . 30.5 m-80 -95.15 -19.42 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -82.84 -42.93 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.06 -51.31 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -52.67 -41.37 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -60.67 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.32 -18.69 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.58 8.89 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' VAL . 5.9 mtt180 57.99 31.5 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 22' ' ' TYR . 17.8 mt -117.5 14.11 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.971 0.415 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 64.7 tttt -53.25 134.84 39.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.68 112.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE1' ' HE2' ' A' ' 18' ' ' LYS . 34.2 m-85 -120.93 147.68 46.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.72 137.65 36.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' HD21 ' A' ' 26' ' ' LEU . 42.4 t80 -45.31 -47.45 13.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.8 pt-20 -41.85 -66.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.641 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.65 64.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.45 10.3 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 22' ' ' TYR . 41.9 mt -72.08 171.27 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 9.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.4 tmt_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' ARG . 19.5 mt -35.44 128.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.3 Cg_endo -69.75 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.284 . . . . 0.0 112.366 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -100.93 10.96 40.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.78 18.4 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.575 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -103.88 157.71 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -109.78 108.34 18.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -16.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -102.31 -21.1 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -124.45 26.82 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ASP . 78.2 mt -52.88 -39.31 62.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -62.34 -35.13 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -63.93 -20.81 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 72.8 m-70 -78.01 -4.05 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.6 mt -93.19 128.78 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 93.5 p -61.46 138.61 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -39.07 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 22.1 mt-10 -74.35 -47.84 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.1 mm-40 -81.51 -53.64 6.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 61' ' ' ILE . 18.6 t80 -37.38 -33.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.85 -39.47 19.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 18.7 mt-30 -64.97 -16.15 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 22' ' ' TYR . 59.0 t -97.75 -57.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -81.59 -33.14 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.06 23.05 15.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.496 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -163.61 174.48 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 67.1 p -94.83 140.96 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.442 HD13 ' CE2' ' A' ' 53' ' ' PHE . 3.7 tp -38.55 -39.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 12.2 t -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 32.8 mt-10 -78.55 -34.86 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -46.5 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.64 -16.95 62.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -91.21 5.14 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.49 177.91 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.42 140.25 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 HD11 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.37 -50.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.518 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.1 p-90 -59.2 -39.89 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 24.0 tptt -68.92 -45.2 71.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.36 -28.47 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 69' ' ' LEU . 32.3 m-80 -95.51 -18.85 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.24 -43.32 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.09 -54.46 45.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -51.27 -37.53 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.4 -34.2 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.73 -18.7 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.3 10.89 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 9.2 mtt85 55.5 31.24 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.5 14.67 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 6.8 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 10.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.95 0.405 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 22.4 tttp -58.8 146.99 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -72.5 107.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 48.2 m-85 -118.44 147.5 42.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.725 0.774 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 140.35 42.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 39.6 t80 -47.57 -46.76 28.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.3 pt-20 -42.3 -67.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.41 -21.77 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.5 mt -82.34 10.59 6.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 22' ' ' TYR . 33.0 mt -72.17 168.71 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ARG . 7.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.31 129.6 2.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.74 -173.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -102.87 12.77 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -125.88 17.81 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.572 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -102.78 160.52 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -110.58 105.05 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -18.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 69.5 p -101.49 -21.4 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -123.79 26.1 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.3 mt -52.56 -39.88 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -61.39 -32.38 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -68.4 -14.58 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -85.19 -1.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.9 mt -95.15 128.5 42.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' GLU . 7.9 p -63.05 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.3 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.9 mt-10 -71.94 -51.65 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -80.94 -53.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 29.6 t80 -36.8 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 7.7 t80 -85.42 -40.06 16.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -65.01 -16.54 63.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -97.49 -55.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 79.0 m-85 -83.8 -35.14 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 25.62 10.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.564 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.84 178.4 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 61.3 p -97.65 140.28 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.8 tp -39.48 -38.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -58.07 -42.06 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.0 mm-40 -78.72 -35.67 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.68 -48.45 81.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.97 -12.25 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -93.6 3.57 55.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -86.58 177.12 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.96 140.08 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -36.16 -51.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.482 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 46.6 p-90 -58.85 -39.79 82.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.3 tptp -69.25 -46.71 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -63.35 -28.51 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 69' ' ' LEU . 31.2 m-80 -94.71 -19.41 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.05 -43.59 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' CD2' ' HZ2' ' A' ' 71' ' ' LYS . 72.1 mt -61.2 -54.64 41.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 53.0 mtpt -51.08 -39.63 56.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -60.43 -34.03 73.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -83.61 -25.49 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.06 12.07 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' VAL . 5.9 mtt180 53.88 32.52 15.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.18 13.0 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 5.0 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.8 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.962 0.41 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 10.0 ttmm -62.19 148.67 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -73.11 114.73 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 50.2 m-85 -125.81 148.13 61.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.721 0.772 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.79 138.17 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.554 ' CE1' HG12 ' A' ' 56' ' ' VAL . 59.9 t80 -44.26 -49.47 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -39.76 -70.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.56 -22.36 66.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.2 mt -82.16 10.82 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 22' ' ' TYR . 27.3 mt -72.98 170.07 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.48 131.19 1.05 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.4 Cg_endo -69.74 -171.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.746 2.298 . . . . 0.0 112.345 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -104.05 12.35 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -125.67 18.23 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.582 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -103.11 158.33 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.27 107.16 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.61 -16.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 34.7 p -102.38 -20.46 14.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -127.64 29.11 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 75.6 mt -53.84 -42.26 68.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 23.1 pm0 -60.33 -29.71 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 19.0 mtt85 -70.08 -13.32 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 68.5 m-70 -85.9 -8.05 58.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD22 ' CA ' ' A' ' 22' ' ' TYR . 17.1 mt -86.67 132.29 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.5 p -66.3 138.73 57.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -39.42 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.0 mm-40 -72.59 -47.35 48.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' GLN . 13.5 mt-10 -85.83 -53.45 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.48 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 26.7 t80 -36.57 -32.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.6 t80 -83.01 -40.75 19.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.1 mt-30 -64.89 -17.07 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 22' ' ' TYR . 58.7 t -96.46 -56.81 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -82.34 -34.53 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 24.61 10.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.461 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -165.52 176.24 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.8 p -96.17 139.73 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.48 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.3 tp -38.3 -39.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.5 t -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' THR . 30.8 mt-10 -78.23 -34.96 48.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.35 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -19.57 50.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -88.53 2.74 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.1 mt -84.23 177.29 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -82.07 139.82 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.43 -49.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.568 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 49.2 p-90 -59.66 -39.93 86.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.6 tptt -68.85 -45.08 72.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.56 -28.16 69.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 69' ' ' LEU . 35.1 m-80 -96.7 -17.33 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 19.2 tt0 -85.5 -42.03 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.78 -55.3 31.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 52.0 mtpt -49.69 -39.19 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.56 -34.02 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -83.61 -20.71 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.9 9.12 44.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' VAL . 14.2 mtt180 57.31 31.84 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CE1' ' A' ' 22' ' ' TYR . 17.4 mt -117.14 14.44 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 10.0 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 23.5 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -51.67 141.7 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -69.39 109.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -119.29 147.55 43.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' HG11 ' A' ' 56' ' ' VAL . 27.5 t80 -51.29 -44.84 61.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.3 pt-20 -44.26 -65.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.38 -22.05 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 24' ' ' LEU . 15.5 mt -82.45 10.55 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.524 HD23 ' CZ ' ' A' ' 22' ' ' TYR . 34.0 mt -71.21 168.6 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.8 tmt_? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.59 128.79 75.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.592 0.711 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.356 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -100.87 14.42 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -126.89 16.19 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.563 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -102.23 155.72 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.4 t0 -108.79 108.7 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -15.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -101.84 -23.68 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -124.49 29.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 72.8 mt -53.69 -39.79 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 25.1 pm0 -62.9 -31.72 72.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 24.4 mtt85 -67.78 -16.04 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 71.2 m-70 -83.0 -5.62 59.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD22 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -89.31 130.77 35.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -62.02 137.04 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -38.74 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.7 mt-10 -75.79 -45.22 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.5 mt-10 -83.03 -52.41 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 19.4 t80 -38.92 -33.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.39 -38.97 21.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.1 mt-30 -65.4 -16.03 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 22' ' ' TYR . 64.8 t -97.97 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -81.71 -32.73 31.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.43 23.89 15.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.533 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.72 173.31 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.0 p -93.43 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 62' ' ' SER . 3.4 tp -38.79 -39.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.7 t -57.19 -42.39 81.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.6 mm-40 -78.92 -34.53 44.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -13.17 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -92.84 3.69 55.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.1 mt -87.7 177.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' HB3' ' CD1' ' A' ' 70' ' ' TRP . . . -81.88 140.11 34.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 HD13 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.23 -50.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CD1' ' HB3' ' A' ' 68' ' ' ALA . 49.3 p-90 -59.33 -39.81 84.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.8 tptt -69.14 -45.5 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -63.96 -28.85 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.467 ' ND2' HD13 ' A' ' 69' ' ' LEU . 31.9 m-80 -94.83 -18.79 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -84.09 -42.98 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.44 -54.09 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.8 mtpt -51.29 -40.49 59.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.77 -35.52 76.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.8 -19.39 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 14.3 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' VAL . 2.6 mtt-85 51.79 32.56 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.64 12.08 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 7.9 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 19.5 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.987 0.422 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 53.8 tttt -53.25 135.76 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.21 109.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.0 m-85 -119.22 146.95 41.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 141.43 45.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' HD23 ' A' ' 26' ' ' LEU . 45.3 t80 -48.03 -47.46 33.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -41.58 -68.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.631 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 24' ' ' LEU . 11.9 mt -82.07 10.35 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' A' ' 22' ' ' TYR . 37.1 mt -73.03 170.28 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.7 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.44 130.94 93.71 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.453 ' HD3' ' CD1' ' A' ' 24' ' ' LEU . 52.8 Cg_endo -69.82 -173.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -102.28 13.12 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -125.83 16.98 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -102.14 154.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.13 106.16 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.8 mmm-85 -49.51 -18.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 59.5 p -99.05 -22.71 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -125.83 31.44 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' ASP . 98.3 mt -56.54 -43.82 80.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.66 -32.96 65.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.07 -23.14 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 76.4 m-70 -77.48 -3.59 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -93.9 129.0 40.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.6 p -61.93 138.48 58.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -38.94 -25.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.3 mm-40 -74.42 -47.97 30.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -81.45 -53.74 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.452 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 32.2 t80 -37.04 -33.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.6 t80 -82.85 -40.45 20.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.3 mt-30 -64.14 -16.22 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.95 -57.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -81.41 -33.84 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.92 24.59 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.555 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.3 ptp -165.97 177.65 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLU . 58.8 p -97.48 141.09 30.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.452 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.8 tp -38.61 -38.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 m -56.68 -43.33 80.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' THR . 12.1 mm-40 -78.48 -35.15 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 64.3 t80 -60.72 -50.01 75.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.4 -15.13 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -90.19 2.72 55.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.42 177.3 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -88.14 141.56 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 19.8 tp -35.5 -53.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -55.55 -40.93 72.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 14.0 tptp -69.46 -48.68 60.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 66.7 mtm180 -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.473 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.1 m-20 -93.25 -16.75 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 15.6 tt0 -85.04 -44.65 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.38 -52.83 63.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.2 mtpt -51.09 -42.56 60.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -59.72 -33.35 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -83.82 -27.73 28.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.25 12.14 21.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' VAL . 8.0 mtt180 54.32 34.58 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.62 13.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.982 0.42 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.8 tttp -59.67 139.56 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.6 110.46 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 38.6 m-85 -122.19 147.75 50.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.707 0.765 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.77 141.11 44.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.414 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 47.2 t80 -48.96 -45.96 42.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -43.03 -66.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.26 -21.68 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.6 mt -82.47 10.26 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' CD2' ' CE2' ' A' ' 22' ' ' TYR . 42.9 mt -71.82 168.76 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 80' ' ' ARG . 3.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.86 129.35 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.0 Cg_endo -69.81 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.15 11.46 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.79 18.96 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.578 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -102.95 158.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -110.22 104.39 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -50.07 -17.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.5 p -98.99 -22.95 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -128.23 33.16 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.1 mt -55.31 -39.93 70.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 12.6 pt-20 -60.61 -34.21 73.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -63.88 -19.05 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.5 m-70 -81.02 -3.71 52.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -91.89 126.04 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' GLU . 62.6 p -62.8 140.67 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -39.28 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.8 mt-10 -71.7 -51.89 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLN . 9.5 mt-10 -82.26 -53.59 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 26.3 t80 -35.95 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -85.76 -40.99 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.4 mt-30 -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.07 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -81.01 -34.24 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.42 24.49 11.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.502 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.2 ptp -166.15 175.2 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.6 p -94.09 142.22 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 tp -41.18 -33.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.5 t -62.22 -41.15 98.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.7 mm-40 -80.12 -33.55 38.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.7 t80 -61.38 -45.05 95.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.89 -16.5 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -91.12 3.12 55.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.42 176.36 7.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' NE1' ' A' ' 70' ' ' TRP . . . -83.46 141.72 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.6 tp -38.18 -53.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.6 p-90 -55.16 -41.03 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.2 tptt -68.27 -48.12 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -63.85 -29.51 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.452 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.6 m-20 -94.72 -15.27 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 4.5 tp10 -88.41 -43.93 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.12 -55.43 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -49.42 -39.84 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 58.6 mttt -60.12 -33.83 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -84.82 -20.7 30.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.51 10.45 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' VAL . 14.9 mtt85 56.43 32.02 19.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -117.75 15.67 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.464 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 28.5 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 18.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.955 0.407 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.09 155.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -83.16 106.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -117.15 147.63 40.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.67 140.92 44.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -48.17 -46.58 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -42.5 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.65 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.1 mt -82.53 10.83 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 22' ' ' TYR . 36.5 mt -72.95 167.54 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 80' ' ' ARG . 9.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.55 128.4 91.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.2 Cg_endo -69.81 -172.9 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -102.94 10.5 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -123.68 19.17 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -103.1 156.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -108.04 107.24 17.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -16.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -19.76 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -127.73 28.05 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.6 mt -52.13 -38.24 56.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 18.8 pt-20 -62.55 -35.43 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -63.86 -18.26 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.9 m-70 -81.74 -3.26 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.2 mt -92.68 126.32 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' GLU . 77.7 p -60.73 138.95 58.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -39.67 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' SER . 24.8 mm-40 -74.71 -45.79 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.1 mm-40 -84.82 -53.27 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.5 t80 -37.44 -30.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.2 t80 -85.93 -39.92 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.5 mt-30 -64.46 -16.56 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -97.24 -57.46 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -81.66 -34.32 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.64 22.28 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.503 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -162.52 176.52 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -96.49 141.04 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 62' ' ' SER . 2.4 tp -39.24 -38.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 61' ' ' ILE . 9.3 t -57.28 -42.55 81.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 24.4 mt-10 -79.07 -35.19 42.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.606 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 61.0 t80 -61.02 -49.76 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -19.15 49.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -88.7 4.16 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.77 176.31 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HB2' ' NE1' ' A' ' 70' ' ' TRP . . . -83.69 141.53 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.456 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.77 -53.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.8 p-90 -54.95 -40.65 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -68.77 -48.37 63.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 55.7 mtm180 -63.59 -29.65 70.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.456 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.1 m-20 -94.36 -15.15 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 8.0 tp10 -88.43 -44.17 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.63 -52.87 63.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -51.36 -39.23 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -61.46 -33.61 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -84.41 -20.35 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.89 9.95 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' VAL . 8.8 mtt180 56.19 32.37 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -116.73 9.69 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.7 tttp -56.83 137.5 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.17 110.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 47.5 m-85 -121.96 147.83 49.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.76 140.16 41.99 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' HD22 ' A' ' 26' ' ' LEU . 44.4 t80 -46.19 -48.89 17.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -40.69 -69.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.97 -22.4 66.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.7 mt -81.47 8.23 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' A' ' 22' ' ' TYR . 35.1 mt -70.43 169.69 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.2 131.58 80.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.77 -173.28 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -102.89 11.96 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.26 18.67 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.578 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -103.06 156.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.68 106.43 16.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -17.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.424 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 80.8 p -102.57 -22.26 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -124.25 26.22 7.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.9 mt -50.1 -39.72 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 9.2 pt-20 -62.32 -33.13 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 66.8 mtt180 -65.9 -15.19 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.4 m-70 -85.04 -4.22 59.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 22' ' ' TYR . 18.5 mt -91.24 127.34 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 28.3 p -63.86 140.36 58.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -39.0 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mm-40 -70.9 -50.33 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.4 mt-10 -83.98 -53.77 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLU . 35.9 t80 -36.7 -32.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 5.9 t80 -84.48 -40.44 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.1 mt-30 -64.31 -16.11 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -98.1 -56.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -82.39 -34.45 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 23.53 12.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.552 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -163.92 178.11 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 35.9 p -97.68 141.73 30.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.418 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -40.17 -37.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -58.55 -41.71 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' THR . 27.5 mm-40 -80.41 -34.98 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 60.8 t80 -60.5 -48.67 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -17.91 57.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.98 4.74 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.12 176.89 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.29 141.56 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 21.0 tp -37.87 -53.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.576 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.4 p-90 -55.08 -41.25 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.2 tptt -68.24 -47.74 66.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -64.07 -29.79 70.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.458 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.9 m-20 -94.01 -15.35 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 16.9 tt0 -86.75 -43.38 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.92 -53.11 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.2 mtpt -50.41 -41.44 52.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 82' ' ' PHE . 82.2 mttt -59.63 -34.87 73.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.13 -19.68 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.49 11.57 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 27' ' ' VAL . 7.3 mtp85 55.05 32.52 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.77 14.51 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CE2' ' HE2' ' A' ' 77' ' ' LYS . 76.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 24.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.977 0.417 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 37.0 tttp -54.91 142.36 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.78 109.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.2 m-85 -121.2 147.26 46.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.687 0.756 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.71 141.22 44.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.286 . . . . 0.0 112.381 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' HD21 ' A' ' 26' ' ' LEU . 43.8 t80 -47.71 -48.34 29.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.4 pt-20 -41.17 -69.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.64 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.81 -21.92 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 11.8 mt -82.5 11.06 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 22' ' ' TYR . 31.9 mt -74.73 168.61 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' NE ' ' A' ' 41' ' ' ARG . 15.5 mt -63.32 130.07 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.474 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.77 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -101.9 10.73 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -122.73 17.14 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.514 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 1.1 m -103.56 151.27 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -105.71 109.48 21.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.462 ' NE ' HD13 ' A' ' 35' ' ' LEU . 14.8 mmt-85 -51.54 -16.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 40.0 p -102.5 -18.2 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -125.84 25.7 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 40' ' ' ASP . 88.9 mt -53.19 -42.58 66.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE1' ' CE2' ' A' ' 64' ' ' PHE . 16.8 pt-20 -57.59 -34.49 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -65.43 -22.35 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 78.8 m-70 -79.0 -3.09 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD22 ' CA ' ' A' ' 22' ' ' TYR . 16.6 mt -93.73 129.45 40.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLU . 31.3 p -63.31 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -38.94 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.8 mm-40 -75.74 -46.18 32.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.4 mm-40 -82.98 -53.22 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.44 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 27.3 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.9 t80 -83.86 -40.2 18.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 19.0 mt-30 -64.73 -16.26 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 22' ' ' TYR . 58.5 t -97.6 -56.72 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.76 -34.31 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.41 24.54 11.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.559 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.55 178.17 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 63' ' ' GLU . 30.2 p -97.55 142.08 29.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.44 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.2 tp -41.5 -34.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 m -61.29 -40.76 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' THR . 40.7 mt-10 -81.58 -34.49 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CE2' ' OE1' ' A' ' 45' ' ' GLU . 69.4 t80 -59.5 -47.9 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -16.72 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.17 2.39 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.8 177.03 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.88 139.07 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 HD13 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -35.55 -51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.473 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.3 p-90 -59.14 -41.22 87.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ALA . 22.6 tptp -67.86 -45.86 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' ND2' HD13 ' A' ' 69' ' ' LEU . 36.9 m-80 -95.35 -19.04 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -82.69 -43.24 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.69 -54.95 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.8 mtpt -49.29 -39.68 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 79.8 mttt -62.13 -34.07 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.35 -18.35 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.09 10.9 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.3 mtt85 56.24 32.06 19.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.7 mt -117.4 13.68 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.47 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 13.9 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 16.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 17.1 ttmt -56.03 143.61 31.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.1 mm -69.67 108.58 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.526 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 47.5 m-85 -117.99 147.33 41.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.746 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.76 138.78 38.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE2' HD21 ' A' ' 26' ' ' LEU . 40.1 t80 -46.12 -47.72 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.6 pt-20 -41.35 -67.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.72 -21.6 65.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.53 10.64 6.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 22' ' ' TYR . 34.0 mt -72.7 169.13 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.54 125.03 6.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.8 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 9.33 43.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.6 18.32 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.571 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -103.76 157.12 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.9 m-20 -108.14 107.15 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -51.31 -16.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 p -101.41 -22.15 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -125.08 28.67 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' ASP . 81.0 mt -52.88 -41.96 64.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -60.36 -30.28 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -69.62 -14.59 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 69.8 m-70 -85.01 -4.19 59.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD22 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -90.72 132.76 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -63.83 136.92 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -38.98 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.9 mt-10 -75.2 -45.7 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.7 mm-40 -83.03 -53.63 5.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' GLU . 25.7 t80 -37.62 -32.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.09 -39.53 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.1 mt-30 -65.24 -16.12 63.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 22' ' ' TYR . 62.4 t -97.94 -57.09 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.39 -33.04 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.84 24.25 13.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.537 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.4 ptp -165.52 173.3 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 72.6 p -93.69 141.97 27.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 62' ' ' SER . 2.6 tp -39.05 -39.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 61' ' ' ILE . 7.9 m -57.02 -42.36 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 33.1 mt-10 -79.09 -34.6 43.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.95 -51.54 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.72 -12.31 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -93.16 2.29 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.8 mt -86.48 178.31 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -83.02 139.3 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD21 ' ND2' ' A' ' 73' ' ' ASN . 2.6 tm? -36.66 -53.66 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 49.5 p-90 -56.39 -40.81 75.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.5 tptt -67.69 -47.23 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.25 -29.5 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.472 ' ND2' HD21 ' A' ' 69' ' ' LEU . 29.6 m-80 -93.17 -19.65 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -82.99 -43.44 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.46 -55.91 28.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -50.22 -41.39 49.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 75.0 mttt -59.3 -35.72 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.65 -19.81 40.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.19 9.61 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' VAL . 4.6 mtt180 57.07 31.97 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.9 mt -117.26 15.23 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 14.7 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -74.89 126.23 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -72.03 165.35 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 137.2 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -88.0 152.24 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -146.37 146.15 30.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 164.36 -39.87 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 7' ' ' GLY . 43.1 m-80 -34.49 -58.61 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.03 -176.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.568 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 23.0 m -67.02 -17.86 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 41.32 26.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 20.5 m95 -49.14 178.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 -41.19 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.5 pmm? -66.8 -41.58 87.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' N ' ' HG2' ' A' ' 14' ' ' MET . 12.5 mtt180 -157.23 177.16 11.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.13 99.66 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.5 m-85 -100.26 103.32 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 41.9 tttt -57.89 150.53 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mm -76.19 108.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.5 m-85 -120.47 147.42 45.33 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.8 140.64 43.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' HD21 ' A' ' 26' ' ' LEU . 53.2 t80 -46.85 -48.33 21.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -40.96 -69.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.3 mt -82.14 10.35 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.6 mt -72.72 169.47 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 80' ' ' ARG . 9.9 p -132.2 39.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.0 p -60.21 113.13 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -39.29 -62.02 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 30.56 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.84 15.19 63.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.79 53.89 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.05 153.57 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.37 34.25 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 HD12 ' NE ' ' A' ' 41' ' ' ARG . 16.4 mt -62.39 130.02 92.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.8 -173.94 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -101.38 12.13 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -124.13 16.53 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.55 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 1.4 m -104.0 153.3 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.0 t0 -106.18 109.94 22.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 25.9 mmt-85 -53.01 -14.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 36.7 p -102.04 -23.36 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -125.83 30.71 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.5 mt -54.46 -39.16 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.9 pm0 -61.45 -35.09 76.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.437 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 69.6 mtt180 -63.62 -17.98 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 76.3 m-70 -82.53 -3.74 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.7 mt -91.54 130.65 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.0 p -62.96 139.47 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -40.28 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.7 mm-40 -74.85 -47.79 28.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 mm-40 -82.18 -53.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' GLU . 25.6 t80 -37.7 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -86.25 -40.16 15.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.8 mt-30 -64.38 -16.34 62.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.73 -57.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -80.81 -33.87 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.52 24.6 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.553 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.91 175.72 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 69.0 p -95.52 140.65 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 62' ' ' SER . 2.4 tp -38.85 -39.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 61' ' ' ILE . 42.3 t -56.8 -42.47 79.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.9 mm-40 -78.76 -35.4 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -59.77 -45.42 92.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.02 -16.86 63.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.49 1.44 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.4 mt -84.84 175.92 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' HB1' ' NE1' ' A' ' 70' ' ' TRP . . . -82.78 141.5 32.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.5 tp -37.91 -53.48 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -55.29 -40.73 71.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 23.8 tptt -68.54 -47.76 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -64.16 -29.08 70.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.8 m-20 -95.28 -15.87 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 18.9 tt0 -86.42 -43.97 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.19 -54.59 44.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 49.9 mtpt -49.07 -41.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -60.48 -33.67 72.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -83.91 -22.24 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.84 6.89 47.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' VAL . 12.2 mtt180 59.61 32.17 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.3 mt -117.39 14.49 14.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.0 t80 -117.73 144.26 45.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 21.3 t -119.68 -47.59 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 144.41 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.16 56.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -39.83 117.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.3 t -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -154.02 116.79 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -109.79 109.38 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.09 -163.92 12.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -74.57 150.88 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 138.83 32.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 161.63 -90.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 60.5 m-80 -35.18 -50.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -171.77 147.57 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 35.0 m -36.21 135.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.34 28.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.479 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 40.1 m95 -69.9 121.32 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.3 -36.47 39.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -57.6 -45.0 85.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -151.21 177.2 10.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -121.26 102.45 8.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.7 m-85 -98.07 102.37 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 28.6 tttp -55.69 133.49 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.7 mm -61.91 110.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 43.1 m-85 -121.59 147.46 47.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 142.5 47.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE1' HD23 ' A' ' 26' ' ' LEU . 33.3 t80 -50.18 -45.43 53.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -43.5 -65.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.631 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.17 -21.58 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.8 mt -82.48 10.31 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD23 ' CE1' ' A' ' 22' ' ' TYR . 34.9 mt -71.92 167.42 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.2 p -131.88 37.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 p -54.48 120.68 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -57.26 -57.7 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 ptt-85 -91.72 -35.44 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.31 159.19 3.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -84.2 80.31 9.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.96 149.01 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -117.92 39.37 3.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.08 127.56 93.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.78 -173.36 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -102.0 11.55 38.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.05 17.48 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.553 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -103.41 154.22 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.7 m-20 -107.43 107.81 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -17.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.3 p -101.87 -21.82 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -122.92 25.89 8.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.8 mt -52.04 -43.03 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' CD ' ' HD2' ' A' ' 76' ' ' LYS . 16.8 pt-20 -59.24 -33.81 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -65.57 -20.64 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 75.3 m-70 -79.54 -2.48 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD22 ' CA ' ' A' ' 22' ' ' TYR . 16.8 mt -93.53 128.77 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 90.5 p -62.23 138.8 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -39.86 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 10.3 mt-10 -75.07 -46.21 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.2 mm-40 -83.52 -53.8 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 30.1 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.62 -40.03 17.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-30 -64.49 -16.38 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.7 t -97.92 -57.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -81.5 -33.6 31.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.77 23.25 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.502 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.6 ptp -164.55 175.08 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.0 p -94.93 141.79 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.427 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.3 tp -39.18 -39.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 30.4 t -57.22 -42.43 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.5 mt-10 -78.73 -34.95 45.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.8 t80 -60.64 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.75 -16.77 52.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -90.43 3.55 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 85.0 mt -86.14 178.01 7.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.537 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -85.25 140.24 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -37.37 -48.97 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.561 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.5 p-90 -60.2 -40.26 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.7 tptt -69.26 -44.8 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -65.06 -28.22 69.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.424 ' ND2' HD23 ' A' ' 69' ' ' LEU . 32.7 m-80 -95.62 -18.48 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.19 -43.0 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.23 -53.09 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.6 mtpt -50.73 -40.63 55.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 68.8 mttt -61.24 -35.09 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -81.83 -18.26 44.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.25 11.47 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 7.1 mtp85 55.06 31.99 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.8 mt -116.99 13.22 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.45 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 4.7 t80 -116.66 138.29 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.8 t -129.31 -40.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.27 136.01 8.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.8 55.64 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.1 p -142.1 131.02 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 p -96.67 125.49 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -121.65 148.41 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -68.15 -54.66 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.7 -73.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -113.44 -59.95 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -75.0 117.76 17.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.71 102.74 2.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -74.76 -45.92 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.95 147.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 27.3 m -33.73 135.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -85.64 31.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.46 ' NE1' ' HD3' ' A' ' 46' ' ' ARG . 37.3 m95 -69.16 -175.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.28 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.487 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -46.81 -41.46 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 14' ' ' MET . 2.2 mmt-85 -157.04 178.31 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -110.79 90.24 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.8 m-85 -83.84 103.89 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 42.3 tttt -59.46 145.43 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 mm -71.28 108.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 49.4 m-85 -121.17 148.41 49.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 146.45 60.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 26' ' ' LEU . 32.2 t80 -55.35 -41.89 73.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -46.64 -63.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.73 -21.59 62.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 24' ' ' LEU . 20.1 mt -83.27 11.26 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.55 ' CD2' ' CE1' ' A' ' 22' ' ' TYR . 41.3 mt -71.67 168.43 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.3 p -134.83 4.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.54 119.42 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -70.42 -0.16 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.67 -171.29 34.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -96.46 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -94.74 97.6 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -99.29 29.13 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.3 mt -52.83 131.05 48.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -100.3 10.17 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -104.67 156.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.19 107.84 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -51.33 -16.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 42.6 p -102.08 -19.92 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -127.28 28.31 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.4 mt -53.51 -38.92 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 7.6 pm0 -61.08 -34.42 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HD3' ' NE1' ' A' ' 12' ' ' TRP . 41.9 mtt180 -64.45 -18.68 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -82.05 -3.59 54.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.2 mt -91.91 128.96 37.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLU . 46.1 p -61.21 139.75 58.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -40.89 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mt-10 -75.56 -47.57 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.0 mm-40 -82.38 -53.19 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 30.6 t80 -37.5 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -85.36 -39.79 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' GLU . 21.4 mt-30 -64.5 -15.79 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -98.96 -57.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -80.87 -32.74 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.25 23.94 15.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.497 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.64 176.26 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' GLU . 56.3 p -96.96 141.9 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 3.3 tp -39.37 -38.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 20.3 t -57.11 -42.34 80.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' THR . 82.7 mt-10 -79.68 -34.99 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.88 -50.78 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.87 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -88.83 2.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.6 mt -84.92 178.39 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.92 139.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD12 ' ND2' ' A' ' 73' ' ' ASN . 3.5 tm? -37.87 -49.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 51.3 p-90 -59.76 -40.39 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.1 tptt -68.69 -45.01 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -64.57 -28.26 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.443 ' ND2' HD12 ' A' ' 69' ' ' LEU . 31.7 m-80 -95.69 -18.76 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -83.74 -42.99 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.43 -54.13 49.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 51.1 mtpt -50.84 -39.83 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -61.26 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.31 -19.74 33.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.5 10.42 41.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.1 mtt180 55.91 32.69 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -117.58 11.62 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 10.3 t80 -112.5 143.61 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -122.37 -46.74 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.429 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 108.74 92.7 2.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HB3' ' CG2' ' A' ' 42' ' ' THR . 53.6 Cg_endo -69.84 172.01 13.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.2 p -130.41 179.28 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 m -106.64 -46.74 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 t -92.41 147.01 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -127.99 136.11 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.28 60.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -98.03 82.83 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -119.87 128.58 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.64 -170.06 13.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 10.2 p-10 -74.0 90.94 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -168.95 141.96 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 27.1 m -34.95 131.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.21 26.1 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -44.15 -65.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.95 -65.09 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -44.23 -51.73 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -134.11 -177.98 4.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -123.39 91.46 3.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.56 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 11.4 m-85 -90.42 104.88 17.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 61.7 tttt -63.03 132.66 52.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.01 111.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 46.3 m-85 -122.88 148.76 54.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.703 0.763 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.79 142.65 48.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.38 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CE1' HD22 ' A' ' 26' ' ' LEU . 27.0 t80 -50.24 -46.0 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -43.07 -66.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.633 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.98 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.479 ' N ' HD11 ' A' ' 24' ' ' LEU . 13.1 mt -82.21 9.73 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 22' ' ' TYR . 36.6 mt -71.07 169.86 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.7 p -133.34 35.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 p -51.98 120.18 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.3 m -69.25 -57.02 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -112.81 37.54 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' NH1' ' A' ' 32' ' ' ARG . . . -120.27 -124.0 3.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 31' ' ' GLY . 16.5 mmt-85 -146.78 106.86 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -120.24 140.95 50.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.16 33.54 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.75 128.96 14.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.493 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.3 Cg_endo -69.73 -174.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.27 39.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.76 17.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -103.5 155.04 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.3 t0 -107.43 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -14.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.9 p -102.39 -24.21 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -123.7 28.78 6.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' ASP . 69.7 mt -51.81 -39.56 58.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 13.2 pt-20 -61.84 -34.56 76.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -64.32 -17.63 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 74.8 m-70 -82.76 -0.41 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.9 mt -95.36 122.99 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.8 p -59.67 140.42 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -39.2 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.3 mt-10 -72.29 -50.81 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -81.95 -53.52 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 26.7 t80 -36.28 -33.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.36 -40.56 17.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.7 mt-30 -64.51 -16.45 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG11 ' CD2' ' A' ' 22' ' ' TYR . 57.7 t -97.29 -57.37 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -81.95 -33.91 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.17 24.11 11.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.492 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -165.1 174.52 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.2 p -93.99 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.4 tp -39.29 -40.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 1.9 m -57.36 -41.92 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' THR . 57.0 mm-40 -78.9 -34.92 44.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 68.0 t80 -59.59 -49.12 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.82 -12.95 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -93.81 3.9 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -88.27 176.2 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' HB1' ' NE1' ' A' ' 70' ' ' TRP . . . -81.99 141.21 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.38 -53.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.8 p-90 -55.57 -41.2 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.6 tptt -67.98 -47.62 68.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -64.59 -29.59 70.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.452 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 93.0 m-20 -94.89 -15.2 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 3.8 tp10 -87.32 -43.38 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.6 -54.02 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.6 mtpt -50.21 -37.47 35.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -63.0 -33.66 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -85.1 -18.13 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.24 10.08 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 9.5 mtt85 56.55 30.12 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.4 mt -116.39 14.68 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -113.22 129.16 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.3 t -131.11 26.87 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.573 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 72.39 95.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.528 ' HD3' ' CE2' ' A' ' 82' ' ' PHE . 53.9 Cg_endo -69.74 2.56 3.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.379 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 m -96.14 125.35 40.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -104.86 154.48 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -82.03 175.87 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -65.9 -59.53 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.5 91.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 80.2 p -159.17 174.33 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 53.4 p -36.68 110.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.08 -78.68 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.33 39.78 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -162.76 168.24 21.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.547 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 28.2 m -58.17 -18.46 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 68.4 m-80 34.32 33.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.547 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 29.6 m95 -48.13 136.28 12.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.72 -50.45 31.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -59.88 -72.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.739 0.304 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -129.01 -177.71 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -115.96 98.99 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.1 m-85 -92.36 102.31 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -50.74 152.0 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.21 108.77 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -119.07 147.42 42.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 142.43 47.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 44.8 t80 -50.15 -45.32 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 21' ' ' PRO . 0.3 OUTLIER -43.52 -65.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.627 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.5 -21.54 63.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.6 mt -82.79 10.37 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 HD23 ' CZ ' ' A' ' 22' ' ' TYR . 33.3 mt -71.25 169.81 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.7 p -132.7 -3.15 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.95 101.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 m -40.92 -65.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -84.63 37.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -127.02 141.67 12.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 76.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -87.3 140.47 29.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -120.18 39.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.95 128.61 77.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.77 -172.47 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -103.41 11.11 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -124.51 19.01 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.553 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -103.25 153.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.42 107.72 18.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.4 -16.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -102.59 -21.07 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -124.93 26.72 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ASP . 73.1 mt -52.39 -39.38 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.0 pt-20 -61.13 -33.85 74.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.33 -18.83 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.5 m-70 -81.1 -3.08 50.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.483 HD22 ' CA ' ' A' ' 22' ' ' TYR . 17.7 mt -94.11 125.23 38.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.28 148.97 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -51.21 -17.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -82.51 -39.2 22.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 4.1 mt-10 -91.88 -52.8 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.414 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 25.2 t80 -37.75 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -86.44 -39.89 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.6 mt-30 -64.32 -16.06 61.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.9 t -98.39 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -81.31 -33.74 32.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.84 22.29 16.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.494 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.6 ptp -162.68 175.69 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 33.9 p -95.96 140.96 29.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.3 tp -38.87 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.9 t -57.13 -42.68 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 25.3 mt-10 -78.86 -34.94 44.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.0 t80 -59.78 -46.92 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.81 -18.4 62.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -89.9 3.48 52.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.09 176.92 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -82.06 139.79 34.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 69' ' ' LEU . 3.4 tm? -38.21 -50.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.489 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.7 p-90 -58.85 -39.6 81.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.4 tptt -68.82 -45.67 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -96.06 -18.93 19.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -84.39 -43.17 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.66 -55.66 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -49.85 -38.14 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -61.87 -34.01 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -84.32 -18.36 36.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.34 10.29 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.9 mtt180 56.1 32.14 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 22' ' ' TYR . 17.9 mt -117.47 14.95 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.7 t80 -115.98 140.35 49.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -127.1 -38.22 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.8 113.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.39 42.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.2 m -46.35 139.05 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.3 p -66.04 145.49 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -77.18 117.65 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -118.73 130.01 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.32 -40.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -164.49 160.49 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -153.52 146.1 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 138.74 177.46 15.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 26.0 t-20 -35.26 113.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.05 -179.23 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.11 -179.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -128.32 36.57 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -81.0 121.95 26.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.65 79.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.3 -60.78 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -142.37 172.96 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -110.64 107.66 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 22.5 m-85 -98.47 101.38 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -53.56 138.12 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 111.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -120.72 147.32 45.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.516 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.76 142.26 47.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.552 ' CE2' HD23 ' A' ' 26' ' ' LEU . 41.4 t80 -49.44 -46.82 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -42.28 -67.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.38 -22.07 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.0 mt -81.99 9.71 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD23 ' CE2' ' A' ' 22' ' ' TYR . 35.9 mt -71.28 168.56 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 80' ' ' ARG . 7.9 p -131.67 33.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 p -53.51 111.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.0 m -51.39 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 2.0 ptp180 -83.5 -37.55 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.61 169.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -94.99 81.57 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.07 149.18 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 1.5 tmt_? -119.41 36.67 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.21 129.49 83.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.85 -175.59 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.285 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 14.68 31.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -127.27 16.36 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.568 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -101.43 154.7 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m-20 -107.64 105.24 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -50.06 -17.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -126.83 29.72 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 91.8 mt -54.1 -41.05 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.3 pm0 -59.41 -32.4 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 61.9 mtt180 -66.72 -19.71 65.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 72.6 m-70 -80.01 -1.79 41.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -95.7 124.87 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.8 p -60.36 139.43 57.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -38.94 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.4 mt-10 -71.32 -50.26 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.0 mt-10 -82.38 -53.58 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 23.4 t80 -36.48 -33.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -84.18 -40.25 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.5 mt-30 -64.48 -16.64 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.8 t -97.4 -57.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.27 -33.74 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 23.84 13.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.493 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -164.86 174.95 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -94.63 141.11 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 tp -39.24 -39.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.1 t -57.39 -42.29 81.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 19.4 mm-40 -78.94 -35.04 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.47 -49.56 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -18.42 51.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -89.42 2.56 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 79.8 mt -84.31 176.72 8.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.16 139.5 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD22 ' ND2' ' A' ' 73' ' ' ASN . 3.2 tm? -38.37 -51.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -58.75 -39.37 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.3 tptt -68.98 -45.66 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -63.65 -28.73 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.473 ' ND2' HD22 ' A' ' 69' ' ' LEU . 32.1 m-80 -95.3 -18.52 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.03 -43.41 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.15 -54.11 49.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.1 mtpt -51.45 -37.78 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -62.87 -35.01 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.13 -18.27 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.33 10.5 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER 55.03 32.09 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -117.22 12.86 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.2 t80 -112.57 141.69 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t -132.28 -37.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.44 131.94 7.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -175.76 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.8 p -112.52 155.75 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.7 p -124.8 149.42 47.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 45.37 41.56 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -110.12 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.93 157.01 29.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 p -127.5 -49.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m 58.19 38.77 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.33 112.99 3.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -95.39 114.4 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 11' ' ' ASN . . . -170.92 146.39 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.529 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 27.3 m -39.62 -25.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' ALA . 13.1 t-20 56.53 31.86 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.529 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 23.6 m95 -68.93 131.17 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.73 -34.04 86.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.503 ' HE1' ' CZ3' ' A' ' 12' ' ' TRP . 4.1 mpp? -72.53 -72.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -114.82 -174.75 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -126.76 93.98 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 14.7 m-85 -96.93 102.46 14.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 70.9 tttt -56.83 142.13 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.5 mm -68.58 108.06 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 44.9 m-85 -118.99 147.15 41.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.713 0.768 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 140.73 43.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CE2' HD22 ' A' ' 26' ' ' LEU . 45.7 t80 -47.44 -47.66 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -41.46 -68.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.634 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.37 -21.81 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.9 mt -82.48 10.64 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 22' ' ' TYR . 35.8 mt -72.76 170.27 14.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.7 p -134.08 36.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.1 p -50.89 132.08 26.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -78.36 -68.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -84.83 -25.05 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.2 -144.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -131.91 118.71 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -107.97 148.1 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -119.1 40.12 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD11 ' NE ' ' A' ' 41' ' ' ARG . 19.7 mt -66.92 128.74 93.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.0 Cg_endo -69.76 -172.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -103.24 14.0 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -127.12 17.18 7.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.56 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -102.59 157.5 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.2 t0 -110.77 109.84 20.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 7.3 mmt85 -50.84 -16.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -102.34 -21.91 14.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.18 25.72 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.5 mt -52.55 -38.87 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.3 pt-20 -63.3 -35.81 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -63.2 -19.55 64.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 80.6 m-70 -80.58 -2.42 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -94.91 129.17 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.5 p -62.03 139.06 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -40.19 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.9 mt-10 -75.44 -46.83 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.5 mm-40 -82.96 -53.11 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 52' ' ' GLU . 16.0 t80 -37.73 -32.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.34 -39.83 18.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -64.47 -16.25 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 22' ' ' TYR . 64.7 t -97.5 -58.49 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -80.64 -33.19 35.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.53 23.48 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.527 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.6 173.76 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.5 p -93.72 141.56 28.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 62' ' ' SER . 3.2 tp -38.76 -39.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 61' ' ' ILE . 10.6 t -56.96 -42.7 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.4 mm-40 -78.58 -34.51 46.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.5 t80 -60.62 -46.69 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.9 -16.8 62.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -91.05 5.28 49.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.0 mt -88.31 177.04 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 70' ' ' TRP . . . -82.04 140.42 33.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.81 -49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.494 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.4 p-90 -59.67 -39.7 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.9 tptt -69.1 -45.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -65.03 -28.27 69.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' HD23 ' A' ' 69' ' ' LEU . 31.0 m-80 -95.83 -17.37 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.47 -42.56 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -53.89 51.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 52.6 mtpt -51.14 -41.95 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -58.86 -34.59 71.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.57 -25.04 33.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.84 12.13 29.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.8 OUTLIER 54.07 33.77 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.3 mt -117.15 11.84 14.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 5.6 t80 -117.41 138.18 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 1.6 t -115.55 -44.78 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.505 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 109.35 93.58 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.29 19.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -71.82 133.69 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.4 m -87.3 -47.54 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -102.2 106.16 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -134.81 116.92 15.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.31 -173.19 43.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -131.8 172.31 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -127.61 137.15 52.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.05 -57.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -54.36 -47.81 72.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.3 150.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 31.2 m -33.79 141.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -95.27 39.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.477 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 57.3 m95 -86.9 118.29 26.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.74 -25.44 69.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.426 ' HE1' ' CE3' ' A' ' 12' ' ' TRP . 2.4 mpp? -64.33 -47.42 79.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -150.49 173.71 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -114.81 101.77 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.9 m-85 -100.92 102.75 13.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 21.0 ttmt -56.8 147.64 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -73.63 106.24 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 49.7 m-85 -116.71 147.55 40.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.83 141.88 46.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 26' ' ' LEU . 37.1 t80 -50.03 -45.71 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.4 pt-20 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.643 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.68 -22.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.3 mt -82.11 10.64 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 22' ' ' TYR . 47.1 mt -73.16 168.86 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.1 p -133.75 -0.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -38.46 97.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' THR . 3.3 m -35.55 -64.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -88.76 47.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.05 -167.04 11.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -91.48 69.99 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -78.07 96.99 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.39 27.69 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.17 128.75 12.46 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -101.46 11.33 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -123.97 17.77 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -104.07 156.94 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -108.64 107.42 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -50.69 -17.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.44 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 78.3 p -102.28 -21.77 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -124.35 26.3 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.9 mt -50.89 -40.92 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.584 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 pt-20 -60.57 -35.32 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -62.79 -19.3 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 79.7 m-70 -81.56 -3.73 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.4 mt -92.59 129.99 38.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLU . 30.9 p -63.65 137.84 58.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -38.63 -26.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.6 mt-10 -71.91 -47.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.2 mm-40 -84.76 -53.43 5.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.438 ' CE2' HD12 ' A' ' 61' ' ' ILE . 38.5 t80 -36.81 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.492 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.0 t80 -83.46 -40.87 18.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.7 mt-30 -63.72 -16.24 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.76 -58.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -80.67 -33.67 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.11 23.5 12.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.492 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.54 175.19 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.345 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.2 p -94.53 141.34 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.438 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.9 tp -39.31 -39.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.0 t -57.64 -42.02 82.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 9.3 mm-40 -79.21 -34.75 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 64.6 t80 -60.49 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -62.33 -16.31 53.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -91.06 3.52 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.3 mt -86.45 177.35 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -83.16 140.58 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 HD21 ' ND2' ' A' ' 73' ' ' ASN . 3.3 tm? -38.42 -50.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.526 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.8 p-90 -58.9 -41.48 87.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.526 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -67.19 -45.15 77.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -64.5 -28.24 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.464 ' ND2' HD21 ' A' ' 69' ' ' LEU . 24.5 m-80 -94.3 -19.74 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.21 -42.64 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.7 -55.1 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.0 mtpt -48.8 -38.77 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.16 -33.64 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.15 -17.8 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.24 11.05 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' VAL . 12.8 mtt85 55.48 31.53 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -116.58 13.84 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 3.4 t80 -115.73 144.47 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 t -134.66 -38.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.85 124.42 5.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.66 16.13 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 2.275 . . . . 0.0 112.307 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 t -121.62 79.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.4 m -85.19 120.54 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -45.72 124.6 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -137.49 166.56 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.49 98.44 2.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -52.87 114.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -163.61 109.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.67 117.01 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.22 80.68 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -162.36 134.72 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' ALA . 19.6 m -33.75 136.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -86.33 34.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -75.25 124.21 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.32 -42.66 22.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mtm -52.11 -54.12 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mmt-85 -145.72 170.78 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -113.71 106.87 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 27.8 m-85 -98.49 101.2 12.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 49.3 tttt -48.79 141.73 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mm -72.8 110.45 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.5 m-85 -120.84 147.07 45.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.71 141.92 46.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' HD22 ' A' ' 26' ' ' LEU . 41.8 t80 -48.34 -47.75 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -41.49 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.629 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.95 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.98 9.87 7.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 22' ' ' TYR . 37.6 mt -71.77 168.01 18.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.5 p -130.75 35.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.3 p -51.99 110.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 m -47.82 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -83.96 -45.04 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.26 157.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -83.0 86.4 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.7 156.5 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -121.22 33.21 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.02 127.58 93.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.4 Cg_endo -69.74 -172.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -1.97 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -109.34 19.87 18.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.56 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -106.69 154.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.03 105.14 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 9.0 mpt_? -50.51 -17.22 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.6 p -99.26 -22.12 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -127.93 32.29 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.4 mt -56.63 -39.98 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.2 pm0 -59.26 -31.06 68.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 65.3 mtt180 -69.6 -17.38 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.8 m-70 -82.72 -1.81 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -93.95 128.18 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 59.3 p -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -39.62 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 17.3 mt-10 -75.22 -45.57 39.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.6 mm-40 -83.33 -53.99 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 29.2 t80 -37.04 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.499 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -83.33 -40.32 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.4 mt-30 -64.24 -16.55 62.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.68 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -80.91 -33.74 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 23.87 12.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.499 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.09 175.44 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.0 p -95.15 140.63 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.464 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.7 tp -39.0 -39.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.404 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 21.5 t -57.36 -42.45 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 47.4 mm-40 -79.12 -34.76 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.55 -48.37 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -18.27 56.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -89.48 3.6 51.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 72.3 mt -84.91 176.24 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -80.91 137.96 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 HD12 ' ND2' ' A' ' 73' ' ' ASN . 3.2 tm? -37.09 -50.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 47.2 p-90 -59.36 -39.36 83.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 25.5 tptt -68.96 -45.58 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -63.09 -29.38 70.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.474 ' ND2' HD12 ' A' ' 69' ' ' LEU . 32.3 m-80 -94.13 -19.64 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.48 -43.83 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.56 -54.91 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.9 mtpt -51.24 -38.15 50.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -62.4 -36.11 81.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.41 -18.35 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.71 9.46 42.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.5 mtt180 56.23 30.95 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.9 mt -117.12 14.61 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.464 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -112.7 138.26 49.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 6.0 p -113.96 -45.04 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 102.68 124.32 5.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 t -118.81 143.4 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -75.59 130.74 39.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -82.33 -56.46 3.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -162.72 146.85 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.36 -105.91 1.97 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -48.28 124.95 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -45.48 147.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.63 154.3 25.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -120.3 -56.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.45 ' CG1' HD11 ' A' ' 19' ' ' ILE . 12.9 m -110.96 -175.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -125.65 53.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -108.24 152.26 24.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.43 -42.36 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -51.03 -66.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmt-85 -133.25 176.03 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -113.02 98.04 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 20.7 m-85 -90.58 102.33 15.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -53.04 139.41 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 10' ' ' VAL . 22.2 mm -69.68 108.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 36' ' ' PRO . 33.1 m-85 -118.21 148.69 44.28 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.66 0.743 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 139.12 39.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' CE1' HG12 ' A' ' 56' ' ' VAL . 48.4 t80 -47.59 -46.25 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.5 pt-20 -42.97 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.65 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.11 -22.18 64.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.9 mt -82.99 11.68 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 22' ' ' TYR . 39.7 mt -73.0 167.66 20.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 80' ' ' ARG . 3.4 p -134.99 13.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.26 115.95 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -55.01 -64.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -67.88 -6.84 23.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.36 -166.05 41.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -104.64 81.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -79.27 96.64 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.58 24.19 4.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -46.18 128.78 7.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.9 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -100.69 10.6 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -123.12 17.92 9.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.568 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -104.2 158.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -109.19 108.81 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 9.6 mpt_? -52.75 -15.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.0 p -104.4 -19.49 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -124.93 24.45 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ASP . 61.8 mt -50.82 -41.46 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 4.6 pm0 -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 20.7 mtt85 -66.72 -17.75 65.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 70.9 m-70 -81.52 -3.89 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CA ' ' A' ' 22' ' ' TYR . 20.7 mt -94.51 129.82 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 150.46 41.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -51.81 -17.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.96 -41.28 23.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.0 mm-40 -91.57 -52.75 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' GLU . 30.0 t80 -37.91 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.77 -40.19 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.2 mt-30 -64.92 -16.17 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 22' ' ' TYR . 58.0 t -97.47 -57.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -82.18 -33.79 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 24.5 12.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -164.92 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.8 p -96.56 141.18 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' SER . 3.0 tp -38.76 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.9 t -56.57 -42.88 79.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' THR . 39.4 mm-40 -78.98 -35.08 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -59.63 -51.58 69.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -18.64 37.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -89.16 3.71 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 80.4 mt -85.91 177.65 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.68 138.97 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 HD12 ' ND2' ' A' ' 73' ' ' ASN . 3.3 tm? -37.64 -49.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.8 p-90 -59.76 -40.17 87.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.501 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.2 tptt -68.59 -45.28 72.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -63.46 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.478 ' ND2' HD12 ' A' ' 69' ' ' LEU . 30.5 m-80 -95.15 -19.42 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -82.84 -42.93 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.06 -51.31 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -52.67 -41.37 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -60.67 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.32 -18.69 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.58 8.89 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' VAL . 5.9 mtt180 57.99 31.5 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 22' ' ' TYR . 17.8 mt -117.5 14.11 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' CZ ' ' CA ' ' A' ' 84' ' ' GLY . 12.8 t80 -110.94 144.14 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 p -112.69 -45.37 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.676 ' CA ' ' CZ ' ' A' ' 82' ' ' PHE . . . 73.3 92.2 0.12 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.53 37.97 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.5 p -89.35 113.98 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -65.08 152.21 44.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -95.78 98.38 10.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -105.34 142.0 35.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.93 119.48 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -101.12 -38.73 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -95.85 60.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.6 46.34 4.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.36 -47.8 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -170.88 144.92 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 9' ' ' ALA . 33.8 m -37.6 129.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -92.39 38.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CE3' ' HE2' ' A' ' 14' ' ' MET . 26.2 m95 -62.17 129.55 41.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.05 -40.13 83.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.542 ' HE2' ' CE3' ' A' ' 12' ' ' TRP . 5.4 ptp -57.37 -58.79 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -151.09 171.59 17.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.9 101.69 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.3 m-85 -93.18 103.69 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 64.7 tttt -53.25 134.84 39.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.68 112.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE1' ' HE2' ' A' ' 18' ' ' LYS . 34.2 m-85 -120.93 147.68 46.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.72 137.65 36.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' HD21 ' A' ' 26' ' ' LEU . 42.4 t80 -45.31 -47.45 13.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.8 pt-20 -41.85 -66.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.641 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.65 64.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.45 10.3 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 22' ' ' TYR . 41.9 mt -72.08 171.27 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.508 ' N ' ' O ' ' A' ' 80' ' ' ARG . 9.3 p -134.74 35.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -91.32 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -80.92 -47.69 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -91.87 12.7 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.17 -162.06 24.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 -104.93 59.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 28' ' ' THR . 24.7 p-10 -92.95 121.88 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.4 tmt_? -120.61 35.0 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' ARG . 19.5 mt -35.44 128.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.3 Cg_endo -69.75 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.284 . . . . 0.0 112.366 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -100.93 10.96 40.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.78 18.4 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.575 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -103.88 157.71 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -109.78 108.34 18.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -16.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -102.31 -21.1 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -124.45 26.82 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ASP . 78.2 mt -52.88 -39.31 62.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -62.34 -35.13 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -63.93 -20.81 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 72.8 m-70 -78.01 -4.05 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.6 mt -93.19 128.78 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 93.5 p -61.46 138.61 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -39.07 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 22.1 mt-10 -74.35 -47.84 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.1 mm-40 -81.51 -53.64 6.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.442 ' CE2' HD13 ' A' ' 61' ' ' ILE . 18.6 t80 -37.38 -33.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.85 -39.47 19.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 18.7 mt-30 -64.97 -16.15 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 22' ' ' TYR . 59.0 t -97.75 -57.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -81.59 -33.14 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.06 23.05 15.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.496 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.8 ptp -163.61 174.48 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 67.1 p -94.83 140.96 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.442 HD13 ' CE2' ' A' ' 53' ' ' PHE . 3.7 tp -38.55 -39.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 12.2 t -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 32.8 mt-10 -78.55 -34.86 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -46.5 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.64 -16.95 62.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -91.21 5.14 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.5 mt -87.49 177.91 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.42 140.25 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 HD11 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.37 -50.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.518 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.1 p-90 -59.2 -39.89 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 24.0 tptt -68.92 -45.2 71.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.36 -28.47 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.464 ' ND2' HD11 ' A' ' 69' ' ' LEU . 32.3 m-80 -95.51 -18.85 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.24 -43.32 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.09 -54.46 45.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -51.27 -37.53 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.4 -34.2 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.73 -18.7 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.3 10.89 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' VAL . 9.2 mtt85 55.5 31.24 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.5 14.67 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 6.8 t80 -114.66 146.08 41.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -133.15 -43.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.55 114.33 1.98 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 92.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.29 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -72.17 169.02 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.3 p -121.38 -46.74 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -84.26 -53.37 5.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t 46.0 42.71 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -177.04 141.42 5.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 28.1 t -37.54 111.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -109.08 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.62 166.82 16.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 3.3 t30 -108.48 116.68 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.61 151.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 33.0 m -34.1 140.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -87.05 29.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -72.75 -174.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' MET . . . -135.47 -58.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.8 pmm? -35.43 -42.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.462 ' N ' ' HG2' ' A' ' 14' ' ' MET . 4.0 mmt85 -156.99 166.92 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -102.15 86.59 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 10.5 m-85 -81.92 102.3 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 22.4 tttp -58.8 146.99 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -72.5 107.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 48.2 m-85 -118.44 147.5 42.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.725 0.774 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 140.35 42.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 39.6 t80 -47.57 -46.76 28.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.472 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.3 pt-20 -42.3 -67.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.41 -21.77 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.5 mt -82.34 10.59 6.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 22' ' ' TYR . 33.0 mt -72.17 168.71 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 80' ' ' ARG . 7.2 p -134.93 37.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.51 108.68 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -46.91 -63.94 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.22 53.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.17 -154.59 6.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -104.01 64.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -107.84 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -118.88 39.42 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.31 129.6 2.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.6 Cg_endo -69.74 -173.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -102.87 12.77 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -125.88 17.81 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.572 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -102.78 160.52 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -110.58 105.05 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -18.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 69.5 p -101.49 -21.4 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -123.79 26.1 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.3 mt -52.56 -39.88 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -61.39 -32.38 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' NH1' ' HE2' ' A' ' 14' ' ' MET . 58.5 mtt180 -68.4 -14.58 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -85.19 -1.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.9 mt -95.15 128.5 42.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' GLU . 7.9 p -63.05 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.3 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.9 mt-10 -71.94 -51.65 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -80.94 -53.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 29.6 t80 -36.8 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 7.7 t80 -85.42 -40.06 16.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -65.01 -16.54 63.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 52.4 t -97.49 -55.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' HB3' ' CE ' ' A' ' 59' ' ' MET . 79.0 m-85 -83.8 -35.14 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 25.62 10.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.564 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.84 178.4 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 61.3 p -97.65 140.28 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.8 tp -39.48 -38.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -58.07 -42.06 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.0 mm-40 -78.72 -35.67 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.68 -48.45 81.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.97 -12.25 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -93.6 3.57 55.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.2 mt -86.58 177.12 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.96 140.08 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -36.16 -51.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.482 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 46.6 p-90 -58.85 -39.79 82.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 68' ' ' ALA . 14.3 tptp -69.25 -46.71 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -63.35 -28.51 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 69' ' ' LEU . 31.2 m-80 -94.71 -19.41 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.05 -43.59 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' CD2' ' HZ2' ' A' ' 71' ' ' LYS . 72.1 mt -61.2 -54.64 41.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 53.0 mtpt -51.08 -39.63 56.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -60.43 -34.03 73.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -83.61 -25.49 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.06 12.07 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' VAL . 5.9 mtt180 53.88 32.52 15.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.18 13.0 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 5.0 t80 -115.42 146.97 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t -150.84 106.42 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.32 114.91 7.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.0 55.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 t 42.27 52.12 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -107.72 -52.85 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -122.49 -56.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -45.96 169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.25 138.07 5.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -82.62 150.68 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -163.55 158.01 20.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.05 -161.05 45.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -102.61 111.49 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -159.3 142.41 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 9' ' ' ALA . 17.8 m -34.6 135.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.57 45.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -68.32 -47.49 67.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.41 -69.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.7 mtm -38.81 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -111.73 -174.77 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -125.23 91.39 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.556 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.8 m-85 -90.01 104.0 16.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 10.0 ttmm -62.19 148.67 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -73.11 114.73 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 50.2 m-85 -125.81 148.13 61.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.721 0.772 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.79 138.17 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.554 ' CE1' HG12 ' A' ' 56' ' ' VAL . 59.9 t80 -44.26 -49.47 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.482 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -39.76 -70.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.56 -22.36 66.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.2 mt -82.16 10.82 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 22' ' ' TYR . 27.3 mt -72.98 170.07 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.7 p -134.57 41.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.07 112.05 24.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 m -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 30' ' ' ARG . 2.5 ppt_? -81.57 41.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.4 -160.77 9.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 2.4 mpt_? -99.52 60.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -102.99 115.59 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.56 36.49 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.48 131.19 1.05 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.4 Cg_endo -69.74 -171.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.746 2.298 . . . . 0.0 112.345 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -104.05 12.35 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -125.67 18.23 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.582 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -103.11 158.33 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.27 107.16 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.61 -16.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 34.7 p -102.38 -20.46 14.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -127.64 29.11 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 75.6 mt -53.84 -42.26 68.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 23.1 pm0 -60.33 -29.71 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 19.0 mtt85 -70.08 -13.32 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 68.5 m-70 -85.9 -8.05 58.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD22 ' CA ' ' A' ' 22' ' ' TYR . 17.1 mt -86.67 132.29 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.5 p -66.3 138.73 57.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -39.42 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.0 mm-40 -72.59 -47.35 48.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' GLN . 13.5 mt-10 -85.83 -53.45 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.48 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 26.7 t80 -36.57 -32.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.6 t80 -83.01 -40.75 19.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.1 mt-30 -64.89 -17.07 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 22' ' ' TYR . 58.7 t -96.46 -56.81 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -82.34 -34.53 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 24.61 10.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.461 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -165.52 176.24 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.8 p -96.17 139.73 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.48 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.3 tp -38.3 -39.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.5 t -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' THR . 30.8 mt-10 -78.23 -34.96 48.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.35 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -19.57 50.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -88.53 2.74 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.1 mt -84.23 177.29 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.568 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -82.07 139.82 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD11 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.43 -49.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.568 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 49.2 p-90 -59.66 -39.93 86.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.524 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.6 tptt -68.85 -45.08 72.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.56 -28.16 69.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' A' ' 69' ' ' LEU . 35.1 m-80 -96.7 -17.33 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 19.2 tt0 -85.5 -42.03 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.78 -55.3 31.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 52.0 mtpt -49.69 -39.19 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.56 -34.02 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -83.61 -20.71 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.9 9.12 44.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' VAL . 14.2 mtt180 57.31 31.84 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CE1' ' A' ' 22' ' ' TYR . 17.4 mt -117.14 14.44 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 10.0 t80 -114.29 145.99 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 t -133.04 -41.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.73 124.88 5.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -75.43 127.33 32.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.4 m -126.68 103.75 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -113.96 -25.92 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -68.12 128.65 37.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.68 -120.76 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -90.56 50.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -103.69 115.42 30.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.16 164.58 32.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.99 108.86 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -167.09 131.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 m -34.53 134.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -96.56 28.09 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 60.0 m95 -55.6 123.1 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.28 -52.06 52.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -44.07 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -137.53 174.42 10.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -112.48 108.84 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 23.5 m-85 -100.58 101.75 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -51.67 141.7 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -69.39 109.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -119.29 147.55 43.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.576 ' CE2' HG11 ' A' ' 56' ' ' VAL . 27.5 t80 -51.29 -44.84 61.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.3 pt-20 -44.26 -65.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.38 -22.05 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 24' ' ' LEU . 15.5 mt -82.45 10.55 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.524 HD23 ' CZ ' ' A' ' 22' ' ' TYR . 34.0 mt -71.21 168.6 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.0 p -135.04 30.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -41.54 117.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.3 m -56.44 -19.45 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' GLY . 8.4 mtp180 -127.81 -57.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' ARG . . . -34.5 147.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -73.57 78.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 155.91 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.8 tmt_? -121.5 31.64 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.59 128.79 75.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.592 0.711 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 54.1 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.356 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -100.87 14.42 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -126.89 16.19 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.563 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.9 OUTLIER -102.23 155.72 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.4 t0 -108.79 108.7 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -15.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -101.84 -23.68 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -124.49 29.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 72.8 mt -53.69 -39.79 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 25.1 pm0 -62.9 -31.72 72.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.473 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 24.4 mtt85 -67.78 -16.04 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 71.2 m-70 -83.0 -5.62 59.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD22 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -89.31 130.77 35.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -62.02 137.04 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -38.74 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.7 mt-10 -75.79 -45.22 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.5 mt-10 -83.03 -52.41 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.404 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 19.4 t80 -38.92 -33.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.533 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.39 -38.97 21.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.1 mt-30 -65.4 -16.03 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 22' ' ' TYR . 64.8 t -97.97 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -81.71 -32.73 31.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.43 23.89 15.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.533 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.72 173.31 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.0 p -93.43 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 62' ' ' SER . 3.4 tp -38.79 -39.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.7 t -57.19 -42.39 81.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.6 mm-40 -78.92 -34.53 44.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -13.17 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -92.84 3.69 55.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.1 mt -87.7 177.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' HB3' ' CD1' ' A' ' 70' ' ' TRP . . . -81.88 140.11 34.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 HD13 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -38.23 -50.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CD1' ' HB3' ' A' ' 68' ' ' ALA . 49.3 p-90 -59.33 -39.81 84.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.8 tptt -69.14 -45.5 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -63.96 -28.85 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.467 ' ND2' HD13 ' A' ' 69' ' ' LEU . 31.9 m-80 -94.83 -18.79 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -84.09 -42.98 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.44 -54.09 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.8 mtpt -51.29 -40.49 59.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.77 -35.52 76.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.8 -19.39 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 14.3 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' VAL . 2.6 mtt-85 51.79 32.56 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.64 12.08 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 7.9 t80 -115.41 142.23 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -131.04 -38.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.88 140.44 10.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.55 10.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -70.5 84.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.3 m -105.62 165.69 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -48.5 109.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -157.79 129.99 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.69 -152.48 23.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t 40.59 41.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -136.9 158.37 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.3 -153.76 9.08 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 44.09 43.47 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.6 -179.78 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -64.59 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -126.81 35.83 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -83.87 121.61 27.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.82 98.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -48.03 -71.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -136.34 176.37 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -111.15 105.75 14.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 19.5 m-85 -96.2 101.53 13.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 53.8 tttt -53.25 135.76 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.21 109.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.0 m-85 -119.22 146.95 41.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 141.43 45.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CE2' HD23 ' A' ' 26' ' ' LEU . 45.3 t80 -48.03 -47.46 33.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.2 pt-20 -41.58 -68.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.631 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 24' ' ' LEU . 11.9 mt -82.07 10.35 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' A' ' 22' ' ' TYR . 37.1 mt -73.03 170.28 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.524 ' N ' ' O ' ' A' ' 80' ' ' ARG . 8.7 p -133.99 37.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 30.8 p -58.15 106.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -38.17 -70.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 33.9 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.42 -141.03 11.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -118.49 37.01 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' THR . 0.6 OUTLIER -54.81 139.33 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -127.91 44.88 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.44 130.94 93.71 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.453 ' HD3' ' CD1' ' A' ' 24' ' ' LEU . 52.8 Cg_endo -69.82 -173.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -102.28 13.12 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -125.83 16.98 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.566 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -102.14 154.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.13 106.16 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 44.8 mmm-85 -49.51 -18.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 59.5 p -99.05 -22.71 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -125.83 31.44 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 40' ' ' ASP . 98.3 mt -56.54 -43.82 80.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.66 -32.96 65.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.07 -23.14 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 76.4 m-70 -77.48 -3.59 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 HD23 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -93.9 129.0 40.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.6 p -61.93 138.48 58.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -38.94 -25.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.3 mm-40 -74.42 -47.97 30.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -81.45 -53.74 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.452 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 32.2 t80 -37.04 -33.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.6 t80 -82.85 -40.45 20.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.3 mt-30 -64.14 -16.22 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.95 -57.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -81.41 -33.84 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.92 24.59 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.555 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.3 ptp -165.97 177.65 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLU . 58.8 p -97.48 141.09 30.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.452 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.8 tp -38.61 -38.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 m -56.68 -43.33 80.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' THR . 12.1 mm-40 -78.48 -35.15 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 64.3 t80 -60.72 -50.01 75.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.4 -15.13 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.5 mtp-105 -90.19 2.72 55.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 83.9 mt -86.42 177.3 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -88.14 141.56 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 19.8 tp -35.5 -53.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -55.55 -40.93 72.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 14.0 tptp -69.46 -48.68 60.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 66.7 mtm180 -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.473 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.1 m-20 -93.25 -16.75 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 15.6 tt0 -85.04 -44.65 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.38 -52.83 63.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.2 mtpt -51.09 -42.56 60.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -59.72 -33.35 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -83.82 -27.73 28.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.25 12.14 21.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 27' ' ' VAL . 8.0 mtt180 54.32 34.58 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.62 13.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.3 t80 -120.83 129.5 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.463 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 3.0 t -105.09 -51.63 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.59 92.41 1.6 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.86 4.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -86.42 38.87 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.9 t -136.74 124.44 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 m -70.65 -47.92 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.376 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -154.48 167.14 31.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.08 92.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 t -60.42 -47.95 83.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -83.08 153.69 24.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -143.47 -88.36 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.0 t-20 37.18 41.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -162.85 141.56 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.469 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 35.1 m -33.65 135.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -82.0 40.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.469 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 19.9 m95 -85.68 120.81 27.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.41 -39.99 41.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 mtm -50.71 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -131.15 178.8 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -118.67 91.85 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.5 m-85 -86.96 102.88 14.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.8 tttp -59.67 139.56 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.6 110.46 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 38.6 m-85 -122.19 147.75 50.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.707 0.765 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.77 141.11 44.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.414 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 47.2 t80 -48.96 -45.96 42.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -43.03 -66.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.26 -21.68 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.6 mt -82.47 10.26 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' CD2' ' CE2' ' A' ' 22' ' ' TYR . 42.9 mt -71.82 168.76 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 80' ' ' ARG . 3.7 p -135.01 31.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.8 p -43.68 116.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 41.1 m -57.46 -14.44 4.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' GLY . 7.4 mtp180 -128.09 -59.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ARG . . . -35.39 146.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -72.04 70.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -48.02 152.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -120.38 32.46 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.86 129.35 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.0 Cg_endo -69.81 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.15 11.46 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.79 18.96 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.578 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -102.95 158.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -110.22 104.39 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -50.07 -17.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.5 p -98.99 -22.95 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -128.23 33.16 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.1 mt -55.31 -39.93 70.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 12.6 pt-20 -60.61 -34.21 73.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -63.88 -19.05 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.5 m-70 -81.02 -3.71 52.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -91.89 126.04 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' GLU . 62.6 p -62.8 140.67 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -39.28 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.8 mt-10 -71.7 -51.89 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLN . 9.5 mt-10 -82.26 -53.59 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CZ ' ' HA ' ' A' ' 61' ' ' ILE . 26.3 t80 -35.95 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -85.76 -40.99 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.4 mt-30 -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.07 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -81.01 -34.24 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.42 24.49 11.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.502 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.2 ptp -166.15 175.2 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.6 p -94.09 142.22 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 tp -41.18 -33.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.5 t -62.22 -41.15 98.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.7 mm-40 -80.12 -33.55 38.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.7 t80 -61.38 -45.05 95.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.89 -16.5 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -91.12 3.12 55.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.42 176.36 7.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' NE1' ' A' ' 70' ' ' TRP . . . -83.46 141.72 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.6 tp -38.18 -53.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.6 p-90 -55.16 -41.03 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.2 tptt -68.27 -48.12 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -63.85 -29.51 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.452 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.6 m-20 -94.72 -15.27 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 4.5 tp10 -88.41 -43.93 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.12 -55.43 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -49.42 -39.84 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 58.6 mttt -60.12 -33.83 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -84.82 -20.7 30.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.51 10.45 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' VAL . 14.9 mtt85 56.43 32.02 19.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -117.75 15.67 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.464 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 28.5 t80 -116.73 133.13 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -122.22 -40.4 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.83 140.68 8.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.34 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.9 p -128.94 149.71 50.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -106.67 162.86 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -94.61 152.09 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 110.817 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -101.75 94.23 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.23 97.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -156.77 168.04 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -166.28 128.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.4 160.32 20.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -50.49 116.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.33 137.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -98.62 136.08 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.3 t30 -117.41 47.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 11' ' ' ASN . 59.6 m95 -33.69 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.77 -29.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 14' ' ' MET . 4.1 mpp? -80.43 -62.38 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -103.35 100.26 10.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 18.3 m-85 -91.43 101.49 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.09 155.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 mm -83.16 106.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -117.15 147.63 40.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.67 140.92 44.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' CZ ' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -48.17 -46.58 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -42.5 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.65 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' N ' HD11 ' A' ' 24' ' ' LEU . 12.1 mt -82.53 10.83 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 22' ' ' TYR . 36.5 mt -72.95 167.54 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 80' ' ' ARG . 9.3 p -131.82 41.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -59.26 113.21 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.5 m -49.19 -61.73 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -86.21 -40.96 15.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.88 165.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -91.39 70.51 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.9 150.08 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -119.27 35.48 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.55 128.4 91.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.2 Cg_endo -69.81 -172.9 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -102.94 10.5 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -123.68 19.17 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -103.1 156.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -108.04 107.24 17.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -16.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -19.76 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -127.73 28.05 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.6 mt -52.13 -38.24 56.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 18.8 pt-20 -62.55 -35.43 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -63.86 -18.26 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.9 m-70 -81.74 -3.26 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.2 mt -92.68 126.32 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' GLU . 77.7 p -60.73 138.95 58.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -39.67 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' SER . 24.8 mm-40 -74.71 -45.79 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.1 mm-40 -84.82 -53.27 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.5 t80 -37.44 -30.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.2 t80 -85.93 -39.92 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.5 mt-30 -64.46 -16.56 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -97.24 -57.46 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -81.66 -34.32 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.64 22.28 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.503 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -162.52 176.52 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -96.49 141.04 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 62' ' ' SER . 2.4 tp -39.24 -38.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 61' ' ' ILE . 9.3 t -57.28 -42.55 81.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 24.4 mt-10 -79.07 -35.19 42.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.606 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 61.0 t80 -61.02 -49.76 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -19.15 49.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -88.7 4.16 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.77 176.31 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HB2' ' NE1' ' A' ' 70' ' ' TRP . . . -83.69 141.53 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.456 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.77 -53.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.574 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.8 p-90 -54.95 -40.65 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -68.77 -48.37 63.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 55.7 mtm180 -63.59 -29.65 70.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.456 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.1 m-20 -94.36 -15.15 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 8.0 tp10 -88.43 -44.17 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.63 -52.87 63.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -51.36 -39.23 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -61.46 -33.61 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -84.41 -20.35 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.89 9.95 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' VAL . 8.8 mtt180 56.19 32.37 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -116.73 9.69 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -109.69 136.94 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 m -130.16 -39.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.12 125.16 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 174.58 9.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 p -66.42 130.27 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -51.32 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -80.79 102.23 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -97.06 171.94 8.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.53 -177.33 36.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 p -126.24 154.79 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -49.05 168.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.54 -37.02 3.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -94.36 -38.43 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -156.68 136.3 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 9' ' ' ALA . 31.7 m -33.83 135.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -90.79 25.79 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -59.65 124.73 21.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.6 -27.19 65.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -66.37 -69.82 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -126.94 179.7 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -117.74 93.74 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.6 m-85 -91.09 102.06 14.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.7 tttp -56.83 137.5 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mm -65.17 110.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 47.5 m-85 -121.96 147.83 49.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.76 140.16 41.99 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CE2' HD22 ' A' ' 26' ' ' LEU . 44.4 t80 -46.19 -48.89 17.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 0.5 OUTLIER -40.69 -69.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.629 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.97 -22.4 66.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.7 mt -81.47 8.23 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' A' ' 22' ' ' TYR . 35.1 mt -70.43 169.69 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.2 p -132.56 26.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 18.9 p -41.95 125.11 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.3 m -65.36 -50.4 65.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -123.17 34.34 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.86 -148.7 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -120.1 60.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.8 OUTLIER -74.23 142.92 45.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -125.07 43.26 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.2 131.58 80.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.77 -173.28 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -102.89 11.96 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.26 18.67 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.578 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -103.06 156.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.68 106.43 16.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -17.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.424 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 80.8 p -102.57 -22.26 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -124.25 26.22 7.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.9 mt -50.1 -39.72 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 9.2 pt-20 -62.32 -33.13 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 66.8 mtt180 -65.9 -15.19 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.4 m-70 -85.04 -4.22 59.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 22' ' ' TYR . 18.5 mt -91.24 127.34 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 28.3 p -63.86 140.36 58.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -39.0 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mm-40 -70.9 -50.33 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.4 mt-10 -83.98 -53.77 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLU . 35.9 t80 -36.7 -32.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 5.9 t80 -84.48 -40.44 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.1 mt-30 -64.31 -16.11 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.9 t -98.1 -56.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -82.39 -34.45 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 23.53 12.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.552 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.7 ptp -163.92 178.11 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 35.9 p -97.68 141.73 30.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.418 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -40.17 -37.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -58.55 -41.71 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' THR . 27.5 mm-40 -80.41 -34.98 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 60.8 t80 -60.5 -48.67 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -17.91 57.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.98 4.74 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.1 mt -88.12 176.89 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.29 141.56 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 21.0 tp -37.87 -53.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.576 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.4 p-90 -55.08 -41.25 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.2 tptt -68.24 -47.74 66.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -64.07 -29.79 70.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.458 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.9 m-20 -94.01 -15.35 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 16.9 tt0 -86.75 -43.38 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.92 -53.11 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.2 mtpt -50.41 -41.44 52.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.57 ' HE2' ' CE2' ' A' ' 82' ' ' PHE . 82.2 mttt -59.63 -34.87 73.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.13 -19.68 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.49 11.57 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 27' ' ' VAL . 7.3 mtp85 55.05 32.52 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.77 14.51 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CE2' ' HE2' ' A' ' 77' ' ' LYS . 76.2 t80 -116.98 130.13 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' GLY . 1.7 t -126.68 45.36 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -36.17 112.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.19 6.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -88.24 101.13 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -50.75 159.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -73.94 -48.7 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -116.54 154.27 30.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 121.58 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -117.32 42.47 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -46.23 98.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 95.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 47.15 41.96 12.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.13 -176.89 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.9 m -67.49 179.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.77 38.81 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -79.37 120.73 24.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.91 -39.29 93.32 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -55.6 -66.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -135.55 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -112.42 102.31 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 24.3 m-85 -92.98 103.72 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 37.0 tttp -54.91 142.36 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.78 109.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 45.2 m-85 -121.2 147.26 46.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.687 0.756 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.532 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.71 141.22 44.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.286 . . . . 0.0 112.381 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CE2' HD21 ' A' ' 26' ' ' LEU . 43.8 t80 -47.71 -48.34 29.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.4 pt-20 -41.17 -69.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.64 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.81 -21.92 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' N ' HD13 ' A' ' 24' ' ' LEU . 11.8 mt -82.5 11.06 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 22' ' ' TYR . 31.9 mt -74.73 168.61 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' ARG . 5.2 p -135.03 27.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' VAL . 31.8 p -33.62 132.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.9 m -70.76 -15.81 62.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -125.86 -63.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -39.51 149.31 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -77.65 83.73 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -53.23 146.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -106.41 31.89 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 HD13 ' NE ' ' A' ' 41' ' ' ARG . 15.5 mt -63.32 130.07 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.474 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.8 Cg_endo -69.77 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -101.9 10.73 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -122.73 17.14 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.514 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 1.1 m -103.56 151.27 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -105.71 109.48 21.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' NE ' HD13 ' A' ' 35' ' ' LEU . 14.8 mmt-85 -51.54 -16.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 40.0 p -102.5 -18.2 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -125.84 25.7 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 40' ' ' ASP . 88.9 mt -53.19 -42.58 66.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE1' ' CE2' ' A' ' 64' ' ' PHE . 16.8 pt-20 -57.59 -34.49 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -65.43 -22.35 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 78.8 m-70 -79.0 -3.09 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD22 ' CA ' ' A' ' 22' ' ' TYR . 16.6 mt -93.73 129.45 40.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLU . 31.3 p -63.31 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -38.94 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.8 mm-40 -75.74 -46.18 32.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.4 mm-40 -82.98 -53.22 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.44 ' CE1' ' N ' ' A' ' 61' ' ' ILE . 27.3 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.9 t80 -83.86 -40.2 18.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 19.0 mt-30 -64.73 -16.26 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 22' ' ' TYR . 58.5 t -97.6 -56.72 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -82.76 -34.31 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.41 24.54 11.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.559 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.55 178.17 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 63' ' ' GLU . 30.2 p -97.55 142.08 29.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.44 ' N ' ' CE1' ' A' ' 53' ' ' PHE . 2.2 tp -41.5 -34.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 m -61.29 -40.76 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' THR . 40.7 mt-10 -81.58 -34.49 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CE2' ' OE1' ' A' ' 45' ' ' GLU . 69.4 t80 -59.5 -47.9 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -16.72 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.17 2.39 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.8 177.03 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.88 139.07 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 HD13 ' ND2' ' A' ' 73' ' ' ASN . 3.4 tm? -35.55 -51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.473 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.3 p-90 -59.14 -41.22 87.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ALA . 22.6 tptp -67.86 -45.86 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' ND2' HD13 ' A' ' 69' ' ' LEU . 36.9 m-80 -95.35 -19.04 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -82.69 -43.24 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.69 -54.95 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.8 mtpt -49.29 -39.68 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 79.8 mttt -62.13 -34.07 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.35 -18.35 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.09 10.9 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' VAL . 6.3 mtt85 56.24 32.06 19.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.7 mt -117.4 13.68 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.47 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 13.9 t80 -122.79 133.61 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -134.99 85.99 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -38.26 100.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.92 4.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 t -118.47 137.16 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -125.15 -48.83 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -143.76 147.06 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -79.53 -46.23 17.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.39 -77.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -104.18 152.01 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -112.21 -53.64 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.02 165.26 23.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -76.18 92.98 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -171.85 152.05 2.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.1 m -35.39 131.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -88.35 38.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -67.22 177.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.01 -47.66 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.485 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -51.45 -41.33 60.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.877 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.485 ' N ' ' HG2' ' A' ' 14' ' ' MET . 1.8 mmt-85 -156.8 -177.49 6.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -116.13 91.88 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 16.4 m-85 -89.19 101.94 14.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.526 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 17.1 ttmt -56.03 143.61 31.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.1 mm -69.67 108.58 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.526 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 47.5 m-85 -117.99 147.33 41.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.746 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' HD2' ' CD2' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.76 138.78 38.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.57 ' CE2' HD21 ' A' ' 26' ' ' LEU . 40.1 t80 -46.12 -47.72 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG3' ' HB2' ' A' ' 21' ' ' PRO . 1.6 pt-20 -41.35 -67.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.72 -21.6 65.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.53 10.64 6.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 HD21 ' CE2' ' A' ' 22' ' ' TYR . 34.0 mt -72.7 169.13 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' ARG . 4.3 p -135.01 17.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 106.39 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -80.74 46.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.11 -156.01 7.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -111.57 68.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.12 112.28 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -101.28 30.42 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.54 125.03 6.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 53.7 Cg_endo -69.8 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 9.33 43.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.6 18.32 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.571 ' HA ' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -103.76 157.12 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.9 m-20 -108.14 107.15 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -51.31 -16.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 p -101.41 -22.15 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -125.08 28.67 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' ASP . 81.0 mt -52.88 -41.96 64.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -60.36 -30.28 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -69.62 -14.59 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 69.8 m-70 -85.01 -4.19 59.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD22 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -90.72 132.76 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -63.83 136.92 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -38.98 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.9 mt-10 -75.2 -45.7 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.7 mm-40 -83.03 -53.63 5.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 52' ' ' GLU . 25.7 t80 -37.62 -32.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.09 -39.53 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.1 mt-30 -65.24 -16.12 63.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 22' ' ' TYR . 62.4 t -97.94 -57.09 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -81.39 -33.04 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.84 24.25 13.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.537 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.4 ptp -165.52 173.3 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 72.6 p -93.69 141.97 27.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 62' ' ' SER . 2.6 tp -39.05 -39.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.464 ' N ' HG23 ' A' ' 61' ' ' ILE . 7.9 m -57.02 -42.36 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 33.1 mt-10 -79.09 -34.6 43.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.95 -51.54 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.72 -12.31 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -93.16 2.29 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 84.8 mt -86.48 178.31 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 70' ' ' TRP . . . -83.02 139.3 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD21 ' ND2' ' A' ' 73' ' ' ASN . 2.6 tm? -36.66 -53.66 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CD1' ' HB1' ' A' ' 68' ' ' ALA . 49.5 p-90 -56.39 -40.81 75.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.5 tptt -67.69 -47.23 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.25 -29.5 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.472 ' ND2' HD21 ' A' ' 69' ' ' LEU . 29.6 m-80 -93.17 -19.65 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -82.99 -43.44 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.46 -55.91 28.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -50.22 -41.39 49.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 75.0 mttt -59.3 -35.72 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.65 -19.81 40.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.19 9.61 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' A' ' 27' ' ' VAL . 4.6 mtt180 57.07 31.97 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.9 mt -117.26 15.23 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 14.7 t80 -116.91 143.56 45.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -132.54 -37.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.09 141.32 12.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 113.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -93.5 136.16 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.6 m -101.71 108.74 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.543 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.956 0.408 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 41.9 tttt -57.89 150.53 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mm -76.19 108.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.47 147.42 45.33 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.8 140.64 43.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 53.2 t80 -46.85 -48.33 21.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -40.96 -69.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.3 mt -82.14 10.35 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.6 mt -72.72 169.47 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.851 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' NE ' ' A' ' 41' ' ' ARG . 16.4 mt -62.39 130.02 92.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.83 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.8 -173.94 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -101.38 12.13 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -124.13 16.53 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.4 m -104.0 153.3 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.0 t0 -106.18 109.94 22.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NE ' HD13 ' A' ' 35' ' ' LEU . 25.9 mmt-85 -53.01 -14.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 36.7 p -102.04 -23.36 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -125.83 30.71 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.5 mt -54.46 -39.16 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.9 pm0 -61.45 -35.09 76.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 69.6 mtt180 -63.62 -17.98 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.3 m-70 -82.53 -3.74 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.7 mt -91.54 130.65 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.0 p -62.96 139.47 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -40.28 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.7 mm-40 -74.85 -47.79 28.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 mm-40 -82.18 -53.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.6 t80 -37.7 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -86.25 -40.16 15.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.8 mt-30 -64.38 -16.34 62.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.2 t -97.73 -57.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.81 -33.87 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.52 24.6 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.91 175.72 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 69.0 p -95.52 140.65 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -38.85 -39.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 61' ' ' ILE . 42.3 t -56.8 -42.47 79.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.9 mm-40 -78.76 -35.4 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -59.77 -45.42 92.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.02 -16.86 63.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.49 1.44 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.4 mt -84.84 175.92 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.78 141.5 32.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.5 tp -37.91 -53.48 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -55.29 -40.73 71.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 23.8 tptt -68.54 -47.76 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -64.16 -29.08 70.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.8 m-20 -95.28 -15.87 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 18.9 tt0 -86.42 -43.97 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.19 -54.59 44.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 49.9 mtpt -49.07 -41.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 78.5 mttt -60.48 -33.67 72.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -83.91 -22.24 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.84 6.89 47.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.851 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.2 mtt180 59.61 32.17 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.621 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.3 mt -117.39 14.49 14.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.7 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 28.6 tttp -55.69 133.49 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.7 mm -61.91 110.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 43.1 m-85 -121.59 147.46 47.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 142.5 47.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.894 ' CE1' HD21 ' A' ' 26' ' ' LEU . 33.3 t80 -50.18 -45.43 53.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -43.5 -65.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.17 -21.58 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.8 mt -82.48 10.31 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.894 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.9 mt -71.92 167.42 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.773 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.08 127.56 93.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.816 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.78 -173.36 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -102.0 11.55 38.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.05 17.48 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.41 154.22 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.7 m-20 -107.43 107.81 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -17.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.3 p -101.87 -21.82 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -122.92 25.89 8.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.8 mt -52.04 -43.03 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' CD ' ' HD2' ' A' ' 76' ' ' LYS . 16.8 pt-20 -59.24 -33.81 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -65.57 -20.64 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 75.3 m-70 -79.54 -2.48 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.8 mt -93.53 128.77 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 90.5 p -62.23 138.8 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -39.86 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 10.3 mt-10 -75.07 -46.21 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.2 mm-40 -83.52 -53.8 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.1 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.62 -40.03 17.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-30 -64.49 -16.38 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 ' CE2' ' A' ' 22' ' ' TYR . 58.7 t -97.92 -57.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -81.5 -33.6 31.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.77 23.25 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -164.55 175.08 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.0 p -94.93 141.79 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.18 -39.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 30.4 t -57.22 -42.43 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.5 mt-10 -78.73 -34.95 45.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.8 t80 -60.64 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.75 -16.77 52.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -90.43 3.55 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 59' ' ' MET . 85.0 mt -86.14 178.01 7.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -85.25 140.24 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -37.37 -48.97 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.5 p-90 -60.2 -40.26 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.7 tptt -69.26 -44.8 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -65.06 -28.22 69.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' ND2' HD22 ' A' ' 69' ' ' LEU . 32.7 m-80 -95.62 -18.48 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.19 -43.0 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.23 -53.09 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.6 mtpt -50.73 -40.63 55.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 68.8 mttt -61.24 -35.09 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -81.83 -18.26 44.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.25 11.47 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.773 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.1 mtp85 55.06 31.99 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.8 mt -116.99 13.22 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.468 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 4.7 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.8 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 42.3 tttt -59.46 145.43 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 mm -71.28 108.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 49.4 m-85 -121.17 148.41 49.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.656 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 146.45 60.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.875 ' CE1' HD21 ' A' ' 26' ' ' LEU . 32.2 t80 -55.35 -41.89 73.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -46.64 -63.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.73 -21.59 62.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 24' ' ' LEU . 20.1 mt -83.27 11.26 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.875 HD21 ' CE1' ' A' ' 22' ' ' TYR . 41.3 mt -71.67 168.43 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.785 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 39' ' ' VAL . 15.3 mt -52.83 131.05 48.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -100.3 10.17 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.67 156.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.19 107.84 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -51.33 -16.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 42.6 p -102.08 -19.92 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -127.28 28.31 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.4 mt -53.51 -38.92 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -61.08 -34.42 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -64.45 -18.68 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -82.05 -3.59 54.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.2 mt -91.91 128.96 37.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLU . 46.1 p -61.21 139.75 58.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -40.89 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mt-10 -75.56 -47.57 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.0 mm-40 -82.38 -53.19 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.6 t80 -37.5 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -85.36 -39.79 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' GLU . 21.4 mt-30 -64.5 -15.79 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 22' ' ' TYR . 59.9 t -98.96 -57.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.8 m-85 -80.87 -32.74 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.25 23.94 15.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.697 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.64 176.26 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' GLU . 56.3 p -96.96 141.9 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 tp -39.37 -38.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 20.3 t -57.11 -42.34 80.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' THR . 82.7 mt-10 -79.68 -34.99 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.88 -50.78 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.87 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -88.83 2.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.697 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.6 mt -84.92 178.39 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.92 139.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.5 tm? -37.87 -49.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 51.3 p-90 -59.76 -40.39 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.1 tptt -68.69 -45.01 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -64.57 -28.26 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.7 m-80 -95.69 -18.76 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -83.74 -42.99 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.43 -54.13 49.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 51.1 mtpt -50.84 -39.83 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -61.26 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.31 -19.74 33.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.5 10.42 41.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.785 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.1 mtt180 55.91 32.69 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.5 mt -117.58 11.62 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 10.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 11.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.979 0.419 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 61.7 tttt -63.03 132.66 52.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.01 111.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.3 m-85 -122.88 148.76 54.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.703 0.763 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.79 142.65 48.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.38 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.907 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.0 t80 -50.24 -46.0 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -43.07 -66.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.926 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.98 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.1 mt -82.21 9.73 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 22' ' ' TYR . 36.6 mt -71.07 169.86 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.769 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.816 0.341 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.75 128.96 14.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.812 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.73 -174.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.27 39.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.76 17.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -103.5 155.04 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.3 t0 -107.43 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -14.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.9 p -102.39 -24.21 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -123.7 28.78 6.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' ASP . 69.7 mt -51.81 -39.56 58.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 13.2 pt-20 -61.84 -34.56 76.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -64.32 -17.63 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 74.8 m-70 -82.76 -0.41 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.9 mt -95.36 122.99 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.8 p -59.67 140.42 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -39.2 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.3 mt-10 -72.29 -50.81 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -81.95 -53.52 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.28 -33.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.36 -40.56 17.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.7 mt-30 -64.51 -16.45 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 22' ' ' TYR . 57.7 t -97.29 -57.37 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.8 m-85 -81.95 -33.91 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.17 24.11 11.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.737 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.1 174.52 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.2 p -93.99 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.29 -40.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 61' ' ' ILE . 1.9 m -57.36 -41.92 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' THR . 57.0 mm-40 -78.9 -34.92 44.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 68.0 t80 -59.59 -49.12 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.82 -12.95 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -93.81 3.9 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.0 mt -88.27 176.2 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.99 141.21 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.38 -53.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.8 p-90 -55.57 -41.2 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.6 tptt -67.98 -47.62 68.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -64.59 -29.59 70.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 93.0 m-20 -94.89 -15.2 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 3.8 tp10 -87.32 -43.38 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.6 -54.02 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.6 mtpt -50.21 -37.47 35.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -63.0 -33.66 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -85.1 -18.13 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.24 10.08 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.769 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.5 mtt85 56.55 30.12 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.4 mt -116.39 14.68 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 11.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -50.74 152.0 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' ILE . 23.9 mm -78.21 108.77 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' HD21 ' A' ' 25' ' ' LEU . 40.7 m-85 -119.07 147.42 42.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 142.43 47.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.863 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.8 t80 -50.15 -45.32 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -43.52 -65.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.919 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.5 -21.54 63.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.6 mt -82.79 10.37 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.863 HD21 ' CE2' ' A' ' 22' ' ' TYR . 33.3 mt -71.25 169.81 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.738 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.95 128.61 77.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.826 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.77 -172.47 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -103.41 11.11 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -124.51 19.01 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.25 153.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.42 107.72 18.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.4 -16.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -102.59 -21.07 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -124.93 26.72 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ASP . 73.1 mt -52.39 -39.38 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.0 pt-20 -61.13 -33.85 74.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.33 -18.83 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.5 m-70 -81.1 -3.08 50.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.503 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.7 mt -94.11 125.23 38.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.28 148.97 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -51.21 -17.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -82.51 -39.2 22.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 4.1 mt-10 -91.88 -52.8 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.2 t80 -37.75 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -86.44 -39.89 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.6 mt-30 -64.32 -16.06 61.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.9 t -98.39 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.8 m-85 -81.31 -33.74 32.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.84 22.29 16.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.743 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -162.68 175.69 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 33.9 p -95.96 140.96 29.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.87 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 61' ' ' ILE . 13.9 t -57.13 -42.68 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 25.3 mt-10 -78.86 -34.94 44.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.0 t80 -59.78 -46.92 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.81 -18.4 62.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -89.9 3.48 52.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.9 mt -85.09 176.92 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.06 139.79 34.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.21 -50.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.7 p-90 -58.85 -39.6 81.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.501 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.4 tptt -68.82 -45.67 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.51 HD21 ' HE2' ' A' ' 82' ' ' PHE . 9.0 m120 -96.06 -18.93 19.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -84.39 -43.17 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.66 -55.66 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -49.85 -38.14 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -61.87 -34.01 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -84.32 -18.36 36.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.34 10.29 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.738 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.9 mtt180 56.1 32.14 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.47 14.95 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.51 ' HE2' HD21 ' A' ' 73' ' ' ASN . 4.7 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 22.5 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.903 0.382 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -53.56 138.12 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 111.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.491 ' HB2' HD21 ' A' ' 25' ' ' LEU . 43.9 m-85 -120.72 147.32 45.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.76 142.26 47.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.891 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.4 t80 -49.44 -46.82 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -42.28 -67.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.929 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.38 -22.07 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.0 mt -81.99 9.71 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.891 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.9 mt -71.28 168.56 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.82 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 1.5 tmt_? . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.844 0.354 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.21 129.49 83.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.85 -175.59 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.285 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 14.68 31.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -127.27 16.36 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -101.43 154.7 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m-20 -107.64 105.24 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -50.06 -17.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -126.83 29.72 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 91.8 mt -54.1 -41.05 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 5.3 pm0 -59.41 -32.4 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 61.9 mtt180 -66.72 -19.71 65.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.6 m-70 -80.01 -1.79 41.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -95.7 124.87 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.8 p -60.36 139.43 57.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -38.94 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.4 mt-10 -71.32 -50.26 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.0 mt-10 -82.38 -53.58 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HD12 ' A' ' 61' ' ' ILE . 23.4 t80 -36.48 -33.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -84.18 -40.25 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.5 mt-30 -64.48 -16.64 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.8 t -97.4 -57.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.5 m-85 -81.27 -33.74 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 23.84 13.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -164.86 174.95 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -94.63 141.11 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.634 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.24 -39.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.408 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.1 t -57.39 -42.29 81.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 19.4 mm-40 -78.94 -35.04 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.47 -49.56 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -18.42 51.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -89.42 2.56 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 79.8 mt -84.31 176.72 8.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.16 139.5 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -38.37 -51.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.511 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -58.75 -39.37 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.3 tptt -68.98 -45.66 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -63.65 -28.73 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -95.3 -18.52 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.03 -43.41 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.15 -54.11 49.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.1 mtpt -51.45 -37.78 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -62.87 -35.01 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.13 -18.27 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.33 10.5 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.82 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.7 OUTLIER 55.03 32.09 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.0 mt -117.22 12.86 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.2 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 14.7 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.977 0.418 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 70.9 tttt -56.83 142.13 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.5 mm -68.58 108.06 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 24' ' ' LEU . 44.9 m-85 -118.99 147.15 41.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.713 0.768 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 140.73 43.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.7 t80 -47.44 -47.66 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -41.46 -68.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.37 -21.81 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.48 10.64 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.8 mt -72.76 170.27 14.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.431 HD13 ' NE ' ' A' ' 41' ' ' ARG . 19.7 mt -66.92 128.74 93.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.76 -172.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -103.24 14.0 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -127.12 17.18 7.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -102.59 157.5 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.2 t0 -110.77 109.84 20.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' NE ' HD13 ' A' ' 35' ' ' LEU . 7.3 mmt85 -50.84 -16.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -102.34 -21.91 14.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.18 25.72 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.5 mt -52.55 -38.87 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.3 pt-20 -63.3 -35.81 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -63.2 -19.55 64.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 80.6 m-70 -80.58 -2.42 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -94.91 129.17 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.5 p -62.03 139.06 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -40.19 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.9 mt-10 -75.44 -46.83 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.5 mm-40 -82.96 -53.11 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.0 t80 -37.73 -32.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.34 -39.83 18.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -64.47 -16.25 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.5 -58.49 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -80.64 -33.19 35.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.53 23.48 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.6 173.76 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.5 p -93.72 141.56 28.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.2 tp -38.76 -39.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.6 t -56.96 -42.7 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.4 mm-40 -78.58 -34.51 46.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.5 t80 -60.62 -46.69 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.9 -16.8 62.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -91.05 5.28 49.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.0 mt -88.31 177.04 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.04 140.42 33.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.81 -49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.502 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.4 p-90 -59.67 -39.7 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.9 tptt -69.1 -45.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -65.03 -28.27 69.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.0 m-80 -95.83 -17.37 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.47 -42.56 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -53.89 51.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 52.6 mtpt -51.14 -41.95 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -58.86 -34.59 71.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.57 -25.04 33.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.84 12.13 29.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.806 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER 54.07 33.77 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.3 mt -117.15 11.84 14.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 5.6 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 21.0 ttmt -56.8 147.64 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.0 mm -73.63 106.24 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 49.7 m-85 -116.71 147.55 40.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.83 141.88 46.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.928 ' CE2' HD21 ' A' ' 26' ' ' LEU . 37.1 t80 -50.03 -45.71 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.942 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.68 -22.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.3 mt -82.11 10.64 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' CE2' ' A' ' 22' ' ' TYR . 47.1 mt -73.16 168.86 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.774 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.1 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.17 128.75 12.46 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.739 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -101.46 11.33 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -123.97 17.77 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.718 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.07 156.94 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -108.64 107.42 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -50.69 -17.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.44 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 78.3 p -102.28 -21.77 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -124.35 26.3 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.9 mt -50.89 -40.92 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.584 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 pt-20 -60.57 -35.32 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -62.79 -19.3 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 79.7 m-70 -81.56 -3.73 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.4 mt -92.59 129.99 38.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLU . 30.9 p -63.65 137.84 58.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -38.63 -26.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.6 mt-10 -71.91 -47.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.2 mm-40 -84.76 -53.43 5.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 61' ' ' ILE . 38.5 t80 -36.81 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.0 t80 -83.46 -40.87 18.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.7 mt-30 -63.72 -16.24 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.76 -58.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.7 m-85 -80.67 -33.67 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.11 23.5 12.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.689 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.54 175.19 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.345 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.2 p -94.53 141.34 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.9 tp -39.31 -39.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.0 t -57.64 -42.02 82.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 9.3 mm-40 -79.21 -34.75 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 64.6 t80 -60.49 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -62.33 -16.31 53.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -91.06 3.52 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.689 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.3 mt -86.45 177.35 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.16 140.58 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -38.42 -50.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.8 p-90 -58.9 -41.48 87.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -67.19 -45.15 77.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -64.5 -28.24 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -94.3 -19.74 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.21 -42.64 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.7 -55.1 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.0 mtpt -48.8 -38.77 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.16 -33.64 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.15 -17.8 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.24 11.05 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.774 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.8 mtt85 55.48 31.53 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.9 mt -116.58 13.84 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 3.4 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 27.8 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 49.3 tttt -48.79 141.73 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mm -72.8 110.45 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.84 147.07 45.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.71 141.92 46.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.906 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.8 t80 -48.34 -47.75 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -41.49 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.918 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.95 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.98 9.87 7.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.906 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.6 mt -71.77 168.01 18.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.819 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.02 127.58 93.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.74 -172.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -1.97 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -109.34 19.87 18.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -106.69 154.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.03 105.14 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -50.51 -17.22 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.6 p -99.26 -22.12 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -127.93 32.29 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.4 mt -56.63 -39.98 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.2 pm0 -59.26 -31.06 68.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 65.3 mtt180 -69.6 -17.38 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.8 m-70 -82.72 -1.81 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.518 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -93.95 128.18 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 59.3 p -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -39.62 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 17.3 mt-10 -75.22 -45.57 39.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.6 mm-40 -83.33 -53.99 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.2 t80 -37.04 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -83.33 -40.32 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.4 mt-30 -64.24 -16.55 62.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.68 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.91 -33.74 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 23.87 12.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.696 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -165.09 175.44 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.0 p -95.15 140.63 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.7 tp -39.0 -39.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 61' ' ' ILE . 21.5 t -57.36 -42.45 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 47.4 mm-40 -79.12 -34.76 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.55 -48.37 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -18.27 56.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -89.48 3.6 51.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.696 HD11 ' SD ' ' A' ' 59' ' ' MET . 72.3 mt -84.91 176.24 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -80.91 137.96 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -37.09 -50.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p-90 -59.36 -39.36 83.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 25.5 tptt -68.96 -45.58 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -63.09 -29.38 70.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -94.13 -19.64 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.48 -43.83 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.56 -54.91 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.9 mtpt -51.24 -38.15 50.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -62.4 -36.11 81.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.41 -18.35 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.71 9.46 42.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.819 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.5 mtt180 56.23 30.95 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.9 mt -117.12 14.61 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 6.4 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 20.7 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.947 0.403 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -53.04 139.41 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -69.68 108.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB2' HD21 ' A' ' 25' ' ' LEU . 33.1 m-85 -118.21 148.69 44.28 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.66 0.743 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.635 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 139.12 39.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.893 ' CE2' HD21 ' A' ' 26' ' ' LEU . 48.4 t80 -47.59 -46.25 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.5 pt-20 -42.97 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.945 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.11 -22.18 64.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.9 mt -82.99 11.68 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.893 HD21 ' CE2' ' A' ' 22' ' ' TYR . 39.7 mt -73.0 167.66 20.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.714 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -46.18 128.78 7.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.735 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -100.69 10.6 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -123.12 17.92 9.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -104.2 158.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -109.19 108.81 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' HG23 ' A' ' 39' ' ' VAL . 9.6 mpt_? -52.75 -15.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.0 p -104.4 -19.49 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -124.93 24.45 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ASP . 61.8 mt -50.82 -41.46 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 4.6 pm0 -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 20.7 mtt85 -66.72 -17.75 65.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 70.9 m-70 -81.52 -3.89 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.51 HD21 ' CA ' ' A' ' 22' ' ' TYR . 20.7 mt -94.51 129.82 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 150.46 41.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -51.81 -17.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.96 -41.28 23.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.0 mm-40 -91.57 -52.75 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.0 t80 -37.91 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.77 -40.19 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.2 mt-30 -64.92 -16.17 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.0 t -97.47 -57.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.3 m-85 -82.18 -33.79 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 24.5 12.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.685 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.92 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.8 p -96.56 141.18 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.0 tp -38.76 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.9 t -56.57 -42.88 79.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' THR . 39.4 mm-40 -78.98 -35.08 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -59.63 -51.58 69.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -18.64 37.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -89.16 3.71 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.685 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.4 mt -85.91 177.65 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.68 138.97 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -37.64 -49.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.509 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.8 p-90 -59.76 -40.17 87.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.2 tptt -68.59 -45.28 72.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -63.46 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -95.15 -19.42 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -82.84 -42.93 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.06 -51.31 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -52.67 -41.37 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -60.67 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.32 -18.69 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.58 8.89 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.714 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 57.99 31.5 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.8 mt -117.5 14.11 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.576 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.971 0.415 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 64.7 tttt -53.25 134.84 39.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.68 112.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.529 ' CE1' ' HE2' ' A' ' 18' ' ' LYS . 34.2 m-85 -120.93 147.68 46.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.72 137.65 36.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.917 ' CE2' HD21 ' A' ' 26' ' ' LEU . 42.4 t80 -45.31 -47.45 13.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.8 pt-20 -41.85 -66.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.933 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.65 64.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.45 10.3 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 22' ' ' TYR . 41.9 mt -72.08 171.27 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.849 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.4 tmt_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' ARG . 19.5 mt -35.44 128.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.3 Cg_endo -69.75 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.284 . . . . 0.0 112.366 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -100.93 10.96 40.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.78 18.4 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.88 157.71 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -109.78 108.34 18.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -16.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -102.31 -21.1 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -124.45 26.82 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ASP . 78.2 mt -52.88 -39.31 62.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -62.34 -35.13 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -63.93 -20.81 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.8 m-70 -78.01 -4.05 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.6 mt -93.19 128.78 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 93.5 p -61.46 138.61 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -39.07 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 22.1 mt-10 -74.35 -47.84 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.1 mm-40 -81.51 -53.64 6.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.624 ' CE2' HD12 ' A' ' 61' ' ' ILE . 18.6 t80 -37.38 -33.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.85 -39.47 19.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 18.7 mt-30 -64.97 -16.15 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.0 t -97.75 -57.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.1 m-85 -81.59 -33.14 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.06 23.05 15.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -163.61 174.48 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 67.1 p -94.83 140.96 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.7 tp -38.55 -39.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 12.2 t -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 32.8 mt-10 -78.55 -34.86 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -46.5 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.64 -16.95 62.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -91.21 5.14 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.5 mt -87.49 177.91 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.42 140.25 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.37 -50.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.1 p-90 -59.2 -39.89 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 24.0 tptt -68.92 -45.2 71.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.36 -28.47 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -95.51 -18.85 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.24 -43.32 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.09 -54.46 45.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.2 mtpt -51.27 -37.53 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.4 -34.2 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.73 -18.7 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.3 10.89 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.849 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.2 mtt85 55.5 31.24 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.2 mt -116.5 14.67 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 6.8 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 10.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.95 0.405 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 22.4 tttp -58.8 146.99 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -72.5 107.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 25' ' ' LEU . 48.2 m-85 -118.44 147.5 42.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.725 0.774 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 140.35 42.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.886 ' CE1' HD21 ' A' ' 26' ' ' LEU . 39.6 t80 -47.57 -46.76 28.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -42.3 -67.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.41 -21.77 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.659 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.5 mt -82.34 10.59 6.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.886 HD21 ' CE1' ' A' ' 22' ' ' TYR . 33.0 mt -72.17 168.71 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.847 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.31 129.6 2.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.817 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.74 -173.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -102.87 12.77 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -125.88 17.81 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.742 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.78 160.52 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -110.58 105.05 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -18.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 69.5 p -101.49 -21.4 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.79 26.1 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.3 mt -52.56 -39.88 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -61.39 -32.38 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -68.4 -14.58 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -85.19 -1.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.9 mt -95.15 128.5 42.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' GLU . 7.9 p -63.05 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.3 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.9 mt-10 -71.94 -51.65 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -80.94 -53.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.6 t80 -36.8 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 7.7 t80 -85.42 -40.06 16.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -65.01 -16.54 63.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 22' ' ' TYR . 52.4 t -97.49 -55.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.0 m-85 -83.8 -35.14 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 25.62 10.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.572 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.84 178.4 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 61.3 p -97.65 140.28 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.6 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -39.48 -38.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -58.07 -42.06 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.0 mm-40 -78.72 -35.67 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.68 -48.45 81.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.97 -12.25 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -93.6 3.57 55.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.2 mt -86.58 177.12 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.96 140.08 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -36.16 -51.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 46.6 p-90 -58.85 -39.79 82.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ2' HD21 ' A' ' 75' ' ' LEU . 14.3 tptp -69.25 -46.71 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -63.35 -28.51 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.2 m-80 -94.71 -19.41 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.05 -43.59 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.676 HD21 ' HZ2' ' A' ' 71' ' ' LYS . 72.1 mt -61.2 -54.64 41.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.0 mtpt -51.08 -39.63 56.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -60.43 -34.03 73.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -83.61 -25.49 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.06 12.07 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.847 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 53.88 32.52 15.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.0 mt -116.18 13.0 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 5.0 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.8 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.962 0.41 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 10.0 ttmm -62.19 148.67 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -73.11 114.73 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.533 ' HB3' HD11 ' A' ' 24' ' ' LEU . 50.2 m-85 -125.81 148.13 61.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.721 0.772 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.79 138.17 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.869 ' CE2' HD21 ' A' ' 26' ' ' LEU . 59.9 t80 -44.26 -49.47 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -39.76 -70.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.915 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.56 -22.36 66.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.2 mt -82.16 10.82 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD21 ' CE2' ' A' ' 22' ' ' TYR . 27.3 mt -72.98 170.07 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.809 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.48 131.19 1.05 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.845 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.4 Cg_endo -69.74 -171.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.746 2.298 . . . . 0.0 112.345 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -104.05 12.35 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -125.67 18.23 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.736 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.11 158.33 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.27 107.16 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.61 -16.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 34.7 p -102.38 -20.46 14.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -127.64 29.11 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 75.6 mt -53.84 -42.26 68.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 23.1 pm0 -60.33 -29.71 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 19.0 mtt85 -70.08 -13.32 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 68.5 m-70 -85.9 -8.05 58.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.1 mt -86.67 132.29 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.5 p -66.3 138.73 57.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -39.42 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.0 mm-40 -72.59 -47.35 48.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' GLN . 13.5 mt-10 -85.83 -53.45 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.57 -32.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.6 t80 -83.01 -40.75 19.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.1 mt-30 -64.89 -17.07 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.7 t -96.46 -56.81 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 81' ' ' LEU . 72.0 m-85 -82.34 -34.53 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 24.61 10.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.52 176.24 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.8 p -96.17 139.73 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.523 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.3 -39.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.5 t -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' THR . 30.8 mt-10 -78.23 -34.96 48.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.35 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -19.57 50.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -88.53 2.74 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.1 mt -84.23 177.29 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.07 139.82 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.43 -49.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.2 p-90 -59.66 -39.93 86.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.6 tptt -68.85 -45.08 72.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.56 -28.16 69.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -96.7 -17.33 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 19.2 tt0 -85.5 -42.03 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.78 -55.3 31.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 52.0 mtpt -49.69 -39.19 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.56 -34.02 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -83.61 -20.71 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.9 9.12 44.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.809 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.2 mtt180 57.31 31.84 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.4 mt -117.14 14.44 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 10.0 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 23.5 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -51.67 141.7 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -69.39 109.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 25' ' ' LEU . 39.3 m-85 -119.29 147.55 43.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.661 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.878 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.5 t80 -51.29 -44.84 61.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -44.26 -65.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.38 -22.05 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 15.5 mt -82.45 10.55 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.878 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.0 mt -71.21 168.6 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.8 tmt_? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.59 128.79 75.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.592 0.711 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.832 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.356 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -100.87 14.42 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -126.89 16.19 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -102.23 155.72 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.4 t0 -108.79 108.7 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -15.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -101.84 -23.68 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -124.49 29.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 72.8 mt -53.69 -39.79 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 25.1 pm0 -62.9 -31.72 72.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 24.4 mtt85 -67.78 -16.04 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 71.2 m-70 -83.0 -5.62 59.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -89.31 130.77 35.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -62.02 137.04 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -38.74 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.7 mt-10 -75.79 -45.22 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.5 mt-10 -83.03 -52.41 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 61' ' ' ILE . 19.4 t80 -38.92 -33.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.54 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.39 -38.97 21.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.1 mt-30 -65.4 -16.03 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.97 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.63 ' CE1' HD12 ' A' ' 81' ' ' LEU . 76.8 m-85 -81.71 -32.73 31.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.43 23.89 15.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -164.72 173.31 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.0 p -93.43 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.4 tp -38.79 -39.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.7 t -57.19 -42.39 81.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.6 mm-40 -78.92 -34.53 44.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -13.17 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -92.84 3.69 55.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.1 mt -87.7 177.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.88 140.11 34.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.23 -50.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -59.33 -39.81 84.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.515 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.8 tptt -69.14 -45.5 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -63.96 -28.85 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.83 -18.79 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -84.09 -42.98 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.44 -54.09 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.8 mtpt -51.29 -40.49 59.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.77 -35.52 76.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.8 -19.39 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 14.3 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.827 ' C ' HG12 ' A' ' 27' ' ' VAL . 2.6 mtt-85 51.79 32.56 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.63 HD12 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -115.64 12.08 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 7.9 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 19.5 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.987 0.422 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 53.8 tttt -53.25 135.76 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.21 109.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB3' HD11 ' A' ' 24' ' ' LEU . 45.0 m-85 -119.22 146.95 41.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.677 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 141.43 45.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.91 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.3 t80 -48.03 -47.46 33.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -41.58 -68.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.07 10.35 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.1 mt -73.03 170.28 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.8 HG12 ' C ' ' A' ' 80' ' ' ARG . 8.7 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.44 130.94 93.71 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 52.8 Cg_endo -69.82 -173.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -102.28 13.12 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -125.83 16.98 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.14 154.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.13 106.16 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.544 HH21 HG23 ' A' ' 27' ' ' VAL . 44.8 mmm-85 -49.51 -18.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 59.5 p -99.05 -22.71 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -125.83 31.44 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 81' ' ' LEU . 98.3 mt -56.54 -43.82 80.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.66 -32.96 65.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.07 -23.14 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.4 m-70 -77.48 -3.59 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -93.9 129.0 40.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.6 p -61.93 138.48 58.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -38.94 -25.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.3 mm-40 -74.42 -47.97 30.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -81.45 -53.74 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.535 ' CE2' HD12 ' A' ' 61' ' ' ILE . 32.2 t80 -37.04 -33.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.6 t80 -82.85 -40.45 20.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.3 mt-30 -64.14 -16.22 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.95 -57.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.7 m-85 -81.41 -33.84 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.92 24.59 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.562 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.3 ptp -165.97 177.65 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLU . 58.8 p -97.48 141.09 30.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -38.61 -38.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 m -56.68 -43.33 80.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' THR . 12.1 mm-40 -78.48 -35.15 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 64.3 t80 -60.72 -50.01 75.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.4 -15.13 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 11.5 mtp-105 -90.19 2.72 55.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 71' ' ' LYS . 83.9 mt -86.42 177.3 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -88.14 141.56 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 19.8 tp -35.5 -53.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -55.55 -40.93 72.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' NZ ' HD21 ' A' ' 75' ' ' LEU . 14.0 tptp -69.46 -48.68 60.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 66.7 mtm180 -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.1 m-20 -93.25 -16.75 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 15.6 tt0 -85.04 -44.65 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.61 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 67.6 mt -59.38 -52.83 63.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.2 mtpt -51.09 -42.56 60.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -59.72 -33.35 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -83.82 -27.73 28.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.25 12.14 21.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.8 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.0 mtt180 54.32 34.58 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.6 mt -117.62 13.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.982 0.42 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.8 tttp -59.67 139.56 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.6 110.46 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.433 ' HB2' HD21 ' A' ' 25' ' ' LEU . 38.6 m-85 -122.19 147.75 50.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.707 0.765 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.655 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.77 141.11 44.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.414 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 47.2 t80 -48.96 -45.96 42.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -43.03 -66.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.26 -21.68 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.47 10.26 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 42.9 mt -71.82 168.76 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.86 129.35 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.802 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.0 Cg_endo -69.81 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.15 11.46 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.79 18.96 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.732 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -102.95 158.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -110.22 104.39 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -50.07 -17.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.5 p -98.99 -22.95 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -128.23 33.16 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.1 mt -55.31 -39.93 70.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 12.6 pt-20 -60.61 -34.21 73.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -63.88 -19.05 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.5 m-70 -81.02 -3.71 52.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -91.89 126.04 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' GLU . 62.6 p -62.8 140.67 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -39.28 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.8 mt-10 -71.7 -51.89 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLN . 9.5 mt-10 -82.26 -53.59 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.665 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.3 t80 -35.95 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -85.76 -40.99 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.4 mt-30 -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.07 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.5 m-85 -81.01 -34.24 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.42 24.49 11.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.2 ptp -166.15 175.2 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.6 p -94.09 142.22 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -41.18 -33.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.5 t -62.22 -41.15 98.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.7 mm-40 -80.12 -33.55 38.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.7 t80 -61.38 -45.05 95.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.89 -16.5 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -91.12 3.12 55.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.3 mt -86.42 176.36 7.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.46 141.72 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.6 tp -38.18 -53.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.6 p-90 -55.16 -41.03 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.2 tptt -68.27 -48.12 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -63.85 -29.51 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.6 m-20 -94.72 -15.27 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 4.5 tp10 -88.41 -43.93 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.12 -55.43 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -49.42 -39.84 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 58.6 mttt -60.12 -33.83 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -84.82 -20.7 30.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.51 10.45 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.713 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.9 mtt85 56.43 32.02 19.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.1 mt -117.75 15.67 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 28.5 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 18.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.955 0.407 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.09 155.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 19' ' ' ILE . 13.9 mm -83.16 106.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.47 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.9 m-85 -117.15 147.63 40.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.67 140.92 44.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -48.17 -46.58 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -42.5 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.65 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.1 mt -82.53 10.83 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.5 mt -72.95 167.54 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.55 128.4 91.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.804 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.81 -172.9 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -102.94 10.5 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -123.68 19.17 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.1 156.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -108.04 107.24 17.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -16.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -19.76 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -127.73 28.05 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.6 mt -52.13 -38.24 56.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 18.8 pt-20 -62.55 -35.43 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -63.86 -18.26 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.9 m-70 -81.74 -3.26 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.2 mt -92.68 126.32 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' GLU . 77.7 p -60.73 138.95 58.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -39.67 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' SER . 24.8 mm-40 -74.71 -45.79 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.1 mm-40 -84.82 -53.27 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.655 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.5 t80 -37.44 -30.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.512 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.2 t80 -85.93 -39.92 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.5 mt-30 -64.46 -16.56 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.0 t -97.24 -57.46 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.4 m-85 -81.66 -34.32 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.64 22.28 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.605 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -162.52 176.52 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -96.49 141.04 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.24 -38.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t -57.28 -42.55 81.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 24.4 mt-10 -79.07 -35.19 42.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.606 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 61.0 t80 -61.02 -49.76 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -19.15 49.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -88.7 4.16 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD11 ' SD ' ' A' ' 59' ' ' MET . 91.0 mt -86.77 176.31 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.69 141.53 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.77 -53.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.8 p-90 -54.95 -40.65 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -68.77 -48.37 63.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 55.7 mtm180 -63.59 -29.65 70.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.1 m-20 -94.36 -15.15 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 8.0 tp10 -88.43 -44.17 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.63 -52.87 63.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 47.5 mtpt -51.36 -39.23 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -61.46 -33.61 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -84.41 -20.35 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.89 9.95 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.832 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.8 mtt180 56.19 32.37 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.1 mt -116.73 9.69 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.7 tttp -56.83 137.5 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.4 mm -65.17 110.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.566 ' HB2' HD21 ' A' ' 25' ' ' LEU . 47.5 m-85 -121.96 147.83 49.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.76 140.16 41.99 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.902 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -46.19 -48.89 17.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -40.69 -69.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.97 -22.4 66.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.47 8.23 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.1 mt -70.43 169.69 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.719 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 1.4 tmt_? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.2 131.58 80.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.28 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -102.89 11.96 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.26 18.67 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.728 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.06 156.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.68 106.43 16.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -17.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.424 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 80.8 p -102.57 -22.26 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -124.25 26.22 7.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.9 mt -50.1 -39.72 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 9.2 pt-20 -62.32 -33.13 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 66.8 mtt180 -65.9 -15.19 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.4 m-70 -85.04 -4.22 59.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 22' ' ' TYR . 18.5 mt -91.24 127.34 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 28.3 p -63.86 140.36 58.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -39.0 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mm-40 -70.9 -50.33 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.4 mt-10 -83.98 -53.77 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 61' ' ' ILE . 35.9 t80 -36.7 -32.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 5.9 t80 -84.48 -40.44 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.1 mt-30 -64.31 -16.11 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 22' ' ' TYR . 59.9 t -98.1 -56.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 83.3 m-85 -82.39 -34.45 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 23.53 12.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.627 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -163.92 178.11 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 35.9 p -97.68 141.73 30.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.597 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -40.17 -37.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -58.55 -41.71 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' THR . 27.5 mm-40 -80.41 -34.98 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 60.8 t80 -60.5 -48.67 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -17.91 57.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.98 4.74 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.627 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.1 mt -88.12 176.89 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.29 141.56 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 21.0 tp -37.87 -53.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.581 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.4 p-90 -55.08 -41.25 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.2 tptt -68.24 -47.74 66.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -64.07 -29.79 70.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.457 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.9 m-20 -94.01 -15.35 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 16.9 tt0 -86.75 -43.38 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.92 -53.11 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.2 mtpt -50.41 -41.44 52.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 82' ' ' PHE . 82.2 mttt -59.63 -34.87 73.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.13 -19.68 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.49 11.57 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.719 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.3 mtp85 55.05 32.52 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.6 mt -117.77 14.51 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.594 ' CE2' ' HE2' ' A' ' 77' ' ' LYS . 76.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 24.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.977 0.417 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 37.0 tttp -54.91 142.36 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.78 109.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.2 m-85 -121.2 147.26 46.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.687 0.756 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.71 141.22 44.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.286 . . . . 0.0 112.381 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.933 ' CE2' HD21 ' A' ' 26' ' ' LEU . 43.8 t80 -47.71 -48.34 29.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -41.17 -69.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.81 -21.92 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.8 mt -82.5 11.06 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 22' ' ' TYR . 31.9 mt -74.73 168.61 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.752 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD13 ' NE ' ' A' ' 41' ' ' ARG . 15.5 mt -63.32 130.07 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.749 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -101.9 10.73 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -122.73 17.14 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.743 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.1 m -103.56 151.27 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -105.71 109.48 21.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' NE ' HD13 ' A' ' 35' ' ' LEU . 14.8 mmt-85 -51.54 -16.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 40.0 p -102.5 -18.2 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -125.84 25.7 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ASP . 88.9 mt -53.19 -42.58 66.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE1' ' CE2' ' A' ' 64' ' ' PHE . 16.8 pt-20 -57.59 -34.49 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -65.43 -22.35 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 78.8 m-70 -79.0 -3.09 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.6 mt -93.73 129.45 40.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLU . 31.3 p -63.31 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -38.94 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.8 mm-40 -75.74 -46.18 32.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.4 mm-40 -82.98 -53.22 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 61' ' ' ILE . 27.3 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.9 t80 -83.86 -40.2 18.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 19.0 mt-30 -64.73 -16.26 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG11 ' CD1' ' A' ' 22' ' ' TYR . 58.5 t -97.6 -56.72 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.6 m-85 -82.76 -34.31 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.41 24.54 11.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.568 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.55 178.17 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 63' ' ' GLU . 30.2 p -97.55 142.08 29.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.2 tp -41.5 -34.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 m -61.29 -40.76 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' THR . 40.7 mt-10 -81.58 -34.49 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CE2' ' OE1' ' A' ' 45' ' ' GLU . 69.4 t80 -59.5 -47.9 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -16.72 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.17 2.39 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.428 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.5 mt -84.8 177.03 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.88 139.07 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -35.55 -51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.483 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.3 p-90 -59.14 -41.22 87.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ALA . 22.6 tptp -67.86 -45.86 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.642 HD21 ' HE2' ' A' ' 82' ' ' PHE . 10.8 m120 -95.35 -19.04 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -82.69 -43.24 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.483 HD11 ' HZ2' ' A' ' 71' ' ' LYS . 88.4 mt -60.69 -54.95 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.8 mtpt -49.29 -39.68 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 79.8 mttt -62.13 -34.07 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.35 -18.35 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.09 10.9 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.752 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.3 mtt85 56.24 32.06 19.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.7 mt -117.4 13.68 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.642 ' HE2' HD21 ' A' ' 73' ' ' ASN . 13.9 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 16.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 17.1 ttmt -56.03 143.61 31.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.401 HG23 ' OG ' ' A' ' 49' ' ' SER . 20.1 mm -69.67 108.58 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 47.5 m-85 -117.99 147.33 41.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.746 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.76 138.78 38.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 40.1 t80 -46.12 -47.72 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.563 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.6 pt-20 -41.35 -67.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.72 -21.6 65.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.53 10.64 6.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 34.0 mt -72.7 169.13 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.751 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.54 125.03 6.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.833 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.8 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 9.33 43.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.6 18.32 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.76 157.12 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.9 m-20 -108.14 107.15 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -51.31 -16.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 p -101.41 -22.15 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -125.08 28.67 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' ASP . 81.0 mt -52.88 -41.96 64.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -60.36 -30.28 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -69.62 -14.59 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 69.8 m-70 -85.01 -4.19 59.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -90.72 132.76 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -63.83 136.92 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -38.98 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.9 mt-10 -75.2 -45.7 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.7 mm-40 -83.03 -53.63 5.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.7 t80 -37.62 -32.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.09 -39.53 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.1 mt-30 -65.24 -16.12 63.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.94 -57.09 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.5 m-85 -81.39 -33.04 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.84 24.25 13.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.638 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.4 ptp -165.52 173.3 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 72.6 p -93.69 141.97 27.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 tp -39.05 -39.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 7.9 m -57.02 -42.36 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 33.1 mt-10 -79.09 -34.6 43.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.95 -51.54 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.72 -12.31 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -93.16 2.29 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.638 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.8 mt -86.48 178.31 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.02 139.3 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 tm? -36.66 -53.66 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.5 p-90 -56.39 -40.81 75.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.5 tptt -67.69 -47.23 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.25 -29.5 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -93.17 -19.65 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -82.99 -43.44 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.46 -55.91 28.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -50.22 -41.39 49.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 75.0 mttt -59.3 -35.72 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.65 -19.81 40.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.19 9.61 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.751 ' C ' HG12 ' A' ' 27' ' ' VAL . 4.6 mtt180 57.07 31.97 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.26 15.23 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 14.7 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -74.89 126.23 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -72.03 165.35 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 137.2 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -88.0 152.24 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -146.37 146.15 30.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 164.36 -39.87 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 7' ' ' GLY . 43.1 m-80 -34.49 -58.61 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.03 -176.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 23.0 m -67.02 -17.86 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.8 m120 41.32 26.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 20.5 m95 -49.14 178.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 -41.19 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.478 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.5 pmm? -66.8 -41.58 87.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 14' ' ' MET . 12.5 mtt180 -157.23 177.16 11.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.13 99.66 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.5 m-85 -100.26 103.32 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 41.9 tttt -57.89 150.53 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mm -76.19 108.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.47 147.42 45.33 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.8 140.64 43.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 53.2 t80 -46.85 -48.33 21.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -40.96 -69.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.3 mt -82.14 10.35 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.6 mt -72.72 169.47 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.851 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.9 p -132.2 39.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.0 p -60.21 113.13 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -39.29 -62.02 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 30.56 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.84 15.19 63.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.79 53.89 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.05 153.57 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.37 34.25 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' NE ' ' A' ' 41' ' ' ARG . 16.4 mt -62.39 130.02 92.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.83 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.8 -173.94 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -101.38 12.13 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -124.13 16.53 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.4 m -104.0 153.3 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.0 t0 -106.18 109.94 22.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NE ' HD13 ' A' ' 35' ' ' LEU . 25.9 mmt-85 -53.01 -14.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 36.7 p -102.04 -23.36 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -125.83 30.71 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.5 mt -54.46 -39.16 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.9 pm0 -61.45 -35.09 76.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 69.6 mtt180 -63.62 -17.98 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.3 m-70 -82.53 -3.74 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.7 mt -91.54 130.65 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.0 p -62.96 139.47 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -40.28 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.7 mm-40 -74.85 -47.79 28.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 mm-40 -82.18 -53.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.6 t80 -37.7 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -86.25 -40.16 15.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.8 mt-30 -64.38 -16.34 62.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.2 t -97.73 -57.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.81 -33.87 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.52 24.6 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.91 175.72 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 69.0 p -95.52 140.65 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -38.85 -39.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 61' ' ' ILE . 42.3 t -56.8 -42.47 79.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.9 mm-40 -78.76 -35.4 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -59.77 -45.42 92.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.02 -16.86 63.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.49 1.44 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.4 mt -84.84 175.92 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.78 141.5 32.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.5 tp -37.91 -53.48 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -55.29 -40.73 71.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 23.8 tptt -68.54 -47.76 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -64.16 -29.08 70.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.8 m-20 -95.28 -15.87 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 18.9 tt0 -86.42 -43.97 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.19 -54.59 44.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 49.9 mtpt -49.07 -41.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 78.5 mttt -60.48 -33.67 72.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -83.91 -22.24 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.84 6.89 47.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.851 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.2 mtt180 59.61 32.17 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.621 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.3 mt -117.39 14.49 14.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.0 t80 -117.73 144.26 45.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.482 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 21.3 t -119.68 -47.59 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 144.41 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.16 56.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -39.83 117.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.3 t -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -154.02 116.79 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -109.79 109.38 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.09 -163.92 12.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -74.57 150.88 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 138.83 32.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 161.63 -90.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 60.5 m-80 -35.18 -50.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -171.77 147.57 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 35.0 m -36.21 135.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.34 28.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 40.1 m95 -69.9 121.32 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.3 -36.47 39.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -57.6 -45.0 85.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -151.21 177.2 10.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -121.26 102.45 8.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.7 m-85 -98.07 102.37 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 28.6 tttp -55.69 133.49 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.7 mm -61.91 110.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 43.1 m-85 -121.59 147.46 47.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 142.5 47.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.894 ' CE1' HD21 ' A' ' 26' ' ' LEU . 33.3 t80 -50.18 -45.43 53.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -43.5 -65.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.17 -21.58 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.8 mt -82.48 10.31 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.894 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.9 mt -71.92 167.42 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.773 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p -131.88 37.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 28' ' ' THR . 11.7 p -54.48 120.68 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -57.26 -57.7 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 ptt-85 -91.72 -35.44 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.31 159.19 3.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -84.2 80.31 9.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.96 149.01 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -117.92 39.37 3.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.08 127.56 93.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.816 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.78 -173.36 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -102.0 11.55 38.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.05 17.48 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.41 154.22 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.7 m-20 -107.43 107.81 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -17.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.3 p -101.87 -21.82 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -122.92 25.89 8.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.8 mt -52.04 -43.03 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' CD ' ' HD2' ' A' ' 76' ' ' LYS . 16.8 pt-20 -59.24 -33.81 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -65.57 -20.64 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 75.3 m-70 -79.54 -2.48 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.8 mt -93.53 128.77 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 90.5 p -62.23 138.8 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -39.86 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 10.3 mt-10 -75.07 -46.21 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.2 mm-40 -83.52 -53.8 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.1 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.62 -40.03 17.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-30 -64.49 -16.38 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 ' CE2' ' A' ' 22' ' ' TYR . 58.7 t -97.92 -57.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -81.5 -33.6 31.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.77 23.25 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -164.55 175.08 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.0 p -94.93 141.79 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.18 -39.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 30.4 t -57.22 -42.43 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.5 mt-10 -78.73 -34.95 45.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.8 t80 -60.64 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.75 -16.77 52.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -90.43 3.55 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 59' ' ' MET . 85.0 mt -86.14 178.01 7.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -85.25 140.24 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -37.37 -48.97 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.5 p-90 -60.2 -40.26 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.7 tptt -69.26 -44.8 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -65.06 -28.22 69.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' ND2' HD22 ' A' ' 69' ' ' LEU . 32.7 m-80 -95.62 -18.48 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.19 -43.0 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.23 -53.09 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.6 mtpt -50.73 -40.63 55.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 68.8 mttt -61.24 -35.09 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -81.83 -18.26 44.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.25 11.47 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.773 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.1 mtp85 55.06 31.99 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.8 mt -116.99 13.22 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.468 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 4.7 t80 -116.66 138.29 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.8 t -129.31 -40.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.27 136.01 8.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.8 55.64 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.1 p -142.1 131.02 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 p -96.67 125.49 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -121.65 148.41 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -68.15 -54.66 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.7 -73.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -113.44 -59.95 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -75.0 117.76 17.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.71 102.74 2.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -74.76 -45.92 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.95 147.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 27.3 m -33.73 135.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -85.64 31.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.461 ' NE1' ' HD3' ' A' ' 46' ' ' ARG . 37.3 m95 -69.16 -175.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.28 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -46.81 -41.46 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' HG2' ' A' ' 14' ' ' MET . 2.2 mmt-85 -157.04 178.31 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -110.79 90.24 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.8 m-85 -83.84 103.89 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 42.3 tttt -59.46 145.43 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 mm -71.28 108.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 49.4 m-85 -121.17 148.41 49.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.656 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 146.45 60.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.875 ' CE1' HD21 ' A' ' 26' ' ' LEU . 32.2 t80 -55.35 -41.89 73.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -46.64 -63.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.73 -21.59 62.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 24' ' ' LEU . 20.1 mt -83.27 11.26 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.875 HD21 ' CE1' ' A' ' 22' ' ' TYR . 41.3 mt -71.67 168.43 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.785 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.3 p -134.83 4.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.54 119.42 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -70.42 -0.16 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.67 -171.29 34.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -96.46 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -94.74 97.6 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -99.29 29.13 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 39' ' ' VAL . 15.3 mt -52.83 131.05 48.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -100.3 10.17 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.67 156.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.19 107.84 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -51.33 -16.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.5 HG21 ' HB3' ' A' ' 85' ' ' PRO . 42.6 p -102.08 -19.92 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -127.28 28.31 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.4 mt -53.51 -38.92 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -61.08 -34.42 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HD3' ' NE1' ' A' ' 12' ' ' TRP . 41.9 mtt180 -64.45 -18.68 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -82.05 -3.59 54.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.2 mt -91.91 128.96 37.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLU . 46.1 p -61.21 139.75 58.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -40.89 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mt-10 -75.56 -47.57 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.0 mm-40 -82.38 -53.19 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.6 t80 -37.5 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -85.36 -39.79 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' GLU . 21.4 mt-30 -64.5 -15.79 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 22' ' ' TYR . 59.9 t -98.96 -57.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.8 m-85 -80.87 -32.74 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.25 23.94 15.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.697 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.64 176.26 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' GLU . 56.3 p -96.96 141.9 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 tp -39.37 -38.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 20.3 t -57.11 -42.34 80.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' THR . 82.7 mt-10 -79.68 -34.99 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.88 -50.78 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.87 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -88.83 2.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.697 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.6 mt -84.92 178.39 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.92 139.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.5 tm? -37.87 -49.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 51.3 p-90 -59.76 -40.39 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.1 tptt -68.69 -45.01 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -64.57 -28.26 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.7 m-80 -95.69 -18.76 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -83.74 -42.99 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.43 -54.13 49.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 51.1 mtpt -50.84 -39.83 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -61.26 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.31 -19.74 33.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.5 10.42 41.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.785 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.1 mtt180 55.91 32.69 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.5 mt -117.58 11.62 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 10.3 t80 -112.5 143.61 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -122.37 -46.74 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 108.74 92.7 2.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.5 ' HB3' HG21 ' A' ' 42' ' ' THR . 53.6 Cg_endo -69.84 172.01 13.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.2 p -130.41 179.28 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 m -106.64 -46.74 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 t -92.41 147.01 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -127.99 136.11 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.28 60.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -98.03 82.83 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -119.87 128.58 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.64 -170.06 13.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 10.2 p-10 -74.0 90.94 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -168.95 141.96 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 27.1 m -34.95 131.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.21 26.1 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -44.15 -65.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.95 -65.09 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -44.23 -51.73 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -134.11 -177.98 4.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -123.39 91.46 3.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 11.4 m-85 -90.42 104.88 17.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 61.7 tttt -63.03 132.66 52.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.01 111.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.3 m-85 -122.88 148.76 54.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.703 0.763 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.79 142.65 48.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.38 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.907 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.0 t80 -50.24 -46.0 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -43.07 -66.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.926 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.98 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.1 mt -82.21 9.73 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 22' ' ' TYR . 36.6 mt -71.07 169.86 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.769 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p -133.34 35.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 p -51.98 120.18 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.3 m -69.25 -57.02 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -112.81 37.54 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' NH1' ' A' ' 32' ' ' ARG . . . -120.27 -124.0 3.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 31' ' ' GLY . 16.5 mmt-85 -146.78 106.86 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -120.24 140.95 50.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.16 33.54 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.75 128.96 14.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.812 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.73 -174.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.27 39.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.76 17.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -103.5 155.04 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.3 t0 -107.43 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -14.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 85' ' ' PRO . 33.9 p -102.39 -24.21 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -123.7 28.78 6.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' ASP . 69.7 mt -51.81 -39.56 58.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 13.2 pt-20 -61.84 -34.56 76.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -64.32 -17.63 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 74.8 m-70 -82.76 -0.41 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.9 mt -95.36 122.99 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.8 p -59.67 140.42 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -39.2 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.3 mt-10 -72.29 -50.81 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -81.95 -53.52 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.28 -33.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.36 -40.56 17.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.7 mt-30 -64.51 -16.45 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 22' ' ' TYR . 57.7 t -97.29 -57.37 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.8 m-85 -81.95 -33.91 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.17 24.11 11.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.737 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.1 174.52 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.2 p -93.99 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.29 -40.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 61' ' ' ILE . 1.9 m -57.36 -41.92 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' THR . 57.0 mm-40 -78.9 -34.92 44.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 68.0 t80 -59.59 -49.12 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.82 -12.95 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -93.81 3.9 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.0 mt -88.27 176.2 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.99 141.21 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.38 -53.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.8 p-90 -55.57 -41.2 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.6 tptt -67.98 -47.62 68.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -64.59 -29.59 70.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 93.0 m-20 -94.89 -15.2 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 3.8 tp10 -87.32 -43.38 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.6 -54.02 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.6 mtpt -50.21 -37.47 35.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -63.0 -33.66 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -85.1 -18.13 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.24 10.08 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.769 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.5 mtt85 56.55 30.12 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.4 mt -116.39 14.68 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -113.22 129.16 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.3 t -131.11 26.87 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 72.39 95.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 42' ' ' THR . 53.9 Cg_endo -69.74 2.56 3.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.379 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 m -96.14 125.35 40.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -104.86 154.48 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -82.03 175.87 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -65.9 -59.53 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.5 91.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 80.2 p -159.17 174.33 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 53.4 p -36.68 110.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.08 -78.68 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.33 39.78 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -162.76 168.24 21.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 28.2 m -58.17 -18.46 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 68.4 m-80 34.32 33.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 29.6 m95 -48.13 136.28 12.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.72 -50.45 31.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -59.88 -72.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.739 0.304 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -129.01 -177.71 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -115.96 98.99 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.1 m-85 -92.36 102.31 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -50.74 152.0 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' ILE . 23.9 mm -78.21 108.77 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' HD21 ' A' ' 25' ' ' LEU . 40.7 m-85 -119.07 147.42 42.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 142.43 47.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.863 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.8 t80 -50.15 -45.32 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -43.52 -65.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.919 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.5 -21.54 63.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.6 mt -82.79 10.37 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.863 HD21 ' CE2' ' A' ' 22' ' ' TYR . 33.3 mt -71.25 169.81 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.738 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p -132.7 -3.15 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.95 101.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 m -40.92 -65.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -84.63 37.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -127.02 141.67 12.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 76.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -87.3 140.47 29.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -120.18 39.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.95 128.61 77.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.826 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.77 -172.47 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -103.41 11.11 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -124.51 19.01 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.25 153.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.42 107.72 18.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.4 -16.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -102.59 -21.07 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -124.93 26.72 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ASP . 73.1 mt -52.39 -39.38 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.0 pt-20 -61.13 -33.85 74.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.33 -18.83 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.5 m-70 -81.1 -3.08 50.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.7 mt -94.11 125.23 38.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.28 148.97 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -51.21 -17.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -82.51 -39.2 22.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 4.1 mt-10 -91.88 -52.8 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.2 t80 -37.75 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -86.44 -39.89 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.6 mt-30 -64.32 -16.06 61.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.9 t -98.39 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.8 m-85 -81.31 -33.74 32.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.84 22.29 16.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.743 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -162.68 175.69 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 33.9 p -95.96 140.96 29.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.87 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 61' ' ' ILE . 13.9 t -57.13 -42.68 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 25.3 mt-10 -78.86 -34.94 44.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.0 t80 -59.78 -46.92 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.81 -18.4 62.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -89.9 3.48 52.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.9 mt -85.09 176.92 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.06 139.79 34.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.21 -50.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.7 p-90 -58.85 -39.6 81.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.501 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.4 tptt -68.82 -45.67 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.51 HD21 ' HE2' ' A' ' 82' ' ' PHE . 9.0 m120 -96.06 -18.93 19.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -84.39 -43.17 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.66 -55.66 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -49.85 -38.14 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -61.87 -34.01 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -84.32 -18.36 36.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.34 10.29 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.738 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.9 mtt180 56.1 32.14 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.47 14.95 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.51 ' HE2' HD21 ' A' ' 73' ' ' ASN . 4.7 t80 -115.98 140.35 49.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -127.1 -38.22 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 128.8 113.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.73 140.39 42.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.2 m -46.35 139.05 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.3 p -66.04 145.49 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -77.18 117.65 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -118.73 130.01 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.32 -40.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -164.49 160.49 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -153.52 146.1 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 138.74 177.46 15.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 26.0 t-20 -35.26 113.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.05 -179.23 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.11 -179.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -128.32 36.57 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.401 ' NE1' ' HD3' ' A' ' 46' ' ' ARG . 55.4 m95 -81.0 121.95 26.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.65 79.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.3 -60.78 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -142.37 172.96 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -110.64 107.66 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 22.5 m-85 -98.47 101.38 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -53.56 138.12 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 111.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.491 ' HB2' HD21 ' A' ' 25' ' ' LEU . 43.9 m-85 -120.72 147.32 45.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.76 142.26 47.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.891 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.4 t80 -49.44 -46.82 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -42.28 -67.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.929 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.38 -22.07 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.0 mt -81.99 9.71 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.891 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.9 mt -71.28 168.56 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.82 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.9 p -131.67 33.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 p -53.51 111.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.0 m -51.39 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 2.0 ptp180 -83.5 -37.55 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.61 169.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -94.99 81.57 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.07 149.18 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 1.5 tmt_? -119.41 36.67 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.21 129.49 83.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.85 -175.59 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.285 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 14.68 31.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -127.27 16.36 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -101.43 154.7 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m-20 -107.64 105.24 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -50.06 -17.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -126.83 29.72 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 91.8 mt -54.1 -41.05 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 5.3 pm0 -59.41 -32.4 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 61.9 mtt180 -66.72 -19.71 65.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.6 m-70 -80.01 -1.79 41.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -95.7 124.87 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.8 p -60.36 139.43 57.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -38.94 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.4 mt-10 -71.32 -50.26 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.0 mt-10 -82.38 -53.58 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HD12 ' A' ' 61' ' ' ILE . 23.4 t80 -36.48 -33.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -84.18 -40.25 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.5 mt-30 -64.48 -16.64 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.8 t -97.4 -57.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.5 m-85 -81.27 -33.74 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 23.84 13.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -164.86 174.95 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -94.63 141.11 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.634 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.24 -39.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.408 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.1 t -57.39 -42.29 81.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 19.4 mm-40 -78.94 -35.04 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.47 -49.56 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -18.42 51.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -89.42 2.56 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 79.8 mt -84.31 176.72 8.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.16 139.5 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -38.37 -51.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.511 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -58.75 -39.37 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.3 tptt -68.98 -45.66 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -63.65 -28.73 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -95.3 -18.52 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.03 -43.41 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.15 -54.11 49.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.1 mtpt -51.45 -37.78 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -62.87 -35.01 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.13 -18.27 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.33 10.5 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.82 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.7 OUTLIER 55.03 32.09 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.0 mt -117.22 12.86 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.2 t80 -112.57 141.69 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t -132.28 -37.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.44 131.94 7.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -175.76 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.8 p -112.52 155.75 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.7 p -124.8 149.42 47.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 45.37 41.56 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -110.12 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.93 157.01 29.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 p -127.5 -49.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m 58.19 38.77 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.33 112.99 3.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -95.39 114.4 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 11' ' ' ASN . . . -170.92 146.39 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.59 HG23 ' H ' ' A' ' 12' ' ' TRP . 27.3 m -39.62 -25.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' ALA . 13.1 t-20 56.53 31.86 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.59 ' H ' HG23 ' A' ' 10' ' ' VAL . 23.6 m95 -68.93 131.17 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.73 -34.04 86.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.42 ' HE2' ' CE3' ' A' ' 12' ' ' TRP . 4.1 mpp? -72.53 -72.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 4.0 mmp_? -114.82 -174.75 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -126.76 93.98 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 14.7 m-85 -96.93 102.46 14.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 70.9 tttt -56.83 142.13 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.5 mm -68.58 108.06 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 24' ' ' LEU . 44.9 m-85 -118.99 147.15 41.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.713 0.768 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 140.73 43.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.7 t80 -47.44 -47.66 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -41.46 -68.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.37 -21.81 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.48 10.64 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.8 mt -72.76 170.27 14.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.7 p -134.08 36.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.1 p -50.89 132.08 26.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -78.36 -68.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -84.83 -25.05 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.2 -144.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -131.91 118.71 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -107.97 148.1 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -119.1 40.12 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.431 HD13 ' NE ' ' A' ' 41' ' ' ARG . 19.7 mt -66.92 128.74 93.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.76 -172.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -103.24 14.0 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -127.12 17.18 7.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -102.59 157.5 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.2 t0 -110.77 109.84 20.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 7.3 mmt85 -50.84 -16.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -102.34 -21.91 14.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.18 25.72 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.5 mt -52.55 -38.87 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.3 pt-20 -63.3 -35.81 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -63.2 -19.55 64.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 80.6 m-70 -80.58 -2.42 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -94.91 129.17 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.5 p -62.03 139.06 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -40.19 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.9 mt-10 -75.44 -46.83 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.5 mm-40 -82.96 -53.11 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.0 t80 -37.73 -32.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.34 -39.83 18.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -64.47 -16.25 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.5 -58.49 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -80.64 -33.19 35.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.53 23.48 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.6 173.76 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.5 p -93.72 141.56 28.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.2 tp -38.76 -39.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.6 t -56.96 -42.7 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.4 mm-40 -78.58 -34.51 46.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.5 t80 -60.62 -46.69 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.9 -16.8 62.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -91.05 5.28 49.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.0 mt -88.31 177.04 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.04 140.42 33.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.81 -49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.502 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.4 p-90 -59.67 -39.7 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.9 tptt -69.1 -45.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -65.03 -28.27 69.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.0 m-80 -95.83 -17.37 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.47 -42.56 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -53.89 51.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 52.6 mtpt -51.14 -41.95 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -58.86 -34.59 71.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.57 -25.04 33.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.84 12.13 29.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.806 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER 54.07 33.77 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.3 mt -117.15 11.84 14.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.518 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 5.6 t80 -117.41 138.18 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 1.6 t -115.55 -44.78 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.518 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 109.35 93.58 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.29 19.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -71.82 133.69 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.4 m -87.3 -47.54 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -102.2 106.16 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -134.81 116.92 15.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.31 -173.19 43.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -131.8 172.31 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -127.61 137.15 52.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.05 -57.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -54.36 -47.81 72.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.3 150.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 31.2 m -33.79 141.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -95.27 39.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.486 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 57.3 m95 -86.9 118.29 26.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.74 -25.44 69.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.33 -47.42 79.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -150.49 173.71 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -114.81 101.77 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.9 m-85 -100.92 102.75 13.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 21.0 ttmt -56.8 147.64 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.0 mm -73.63 106.24 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 49.7 m-85 -116.71 147.55 40.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.83 141.88 46.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.928 ' CE2' HD21 ' A' ' 26' ' ' LEU . 37.1 t80 -50.03 -45.71 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.942 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.68 -22.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.3 mt -82.11 10.64 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' CE2' ' A' ' 22' ' ' TYR . 47.1 mt -73.16 168.86 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.774 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.1 p -133.75 -0.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -38.46 97.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' THR . 3.3 m -35.55 -64.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -88.76 47.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.05 -167.04 11.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -91.48 69.99 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -78.07 96.99 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.39 27.69 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.17 128.75 12.46 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.739 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -101.46 11.33 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -123.97 17.77 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.718 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.07 156.94 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -108.64 107.42 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -50.69 -17.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.44 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 78.3 p -102.28 -21.77 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -124.35 26.3 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.9 mt -50.89 -40.92 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.584 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 pt-20 -60.57 -35.32 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -62.79 -19.3 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 79.7 m-70 -81.56 -3.73 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.4 mt -92.59 129.99 38.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLU . 30.9 p -63.65 137.84 58.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -38.63 -26.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.6 mt-10 -71.91 -47.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.2 mm-40 -84.76 -53.43 5.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 61' ' ' ILE . 38.5 t80 -36.81 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.0 t80 -83.46 -40.87 18.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.7 mt-30 -63.72 -16.24 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.76 -58.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.7 m-85 -80.67 -33.67 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.11 23.5 12.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.689 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.54 175.19 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.345 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.2 p -94.53 141.34 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.9 tp -39.31 -39.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.0 t -57.64 -42.02 82.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 9.3 mm-40 -79.21 -34.75 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 64.6 t80 -60.49 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -62.33 -16.31 53.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -91.06 3.52 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.689 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.3 mt -86.45 177.35 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.16 140.58 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -38.42 -50.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.8 p-90 -58.9 -41.48 87.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -67.19 -45.15 77.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -64.5 -28.24 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -94.3 -19.74 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.21 -42.64 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.7 -55.1 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.0 mtpt -48.8 -38.77 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.16 -33.64 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.15 -17.8 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.24 11.05 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.774 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.8 mtt85 55.48 31.53 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.9 mt -116.58 13.84 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 3.4 t80 -115.73 144.47 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 t -134.66 -38.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.85 124.42 5.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.66 16.13 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 2.275 . . . . 0.0 112.307 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 t -121.62 79.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.4 m -85.19 120.54 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -45.72 124.6 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -137.49 166.56 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.49 98.44 2.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -52.87 114.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -163.61 109.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.67 117.01 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.22 80.68 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -162.36 134.72 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' ALA . 19.6 m -33.75 136.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -86.33 34.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -75.25 124.21 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.32 -42.66 22.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mtm -52.11 -54.12 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mmt-85 -145.72 170.78 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -113.71 106.87 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 27.8 m-85 -98.49 101.2 12.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 49.3 tttt -48.79 141.73 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mm -72.8 110.45 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.84 147.07 45.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.71 141.92 46.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.906 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.8 t80 -48.34 -47.75 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -41.49 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.918 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.95 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.98 9.87 7.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.906 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.6 mt -71.77 168.01 18.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.819 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.5 p -130.75 35.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.3 p -51.99 110.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 m -47.82 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -83.96 -45.04 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.26 157.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -83.0 86.4 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.7 156.5 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -121.22 33.21 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.02 127.58 93.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.74 -172.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -1.97 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -109.34 19.87 18.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -106.69 154.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.03 105.14 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 9.0 mpt_? -50.51 -17.22 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.6 p -99.26 -22.12 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -127.93 32.29 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.4 mt -56.63 -39.98 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.2 pm0 -59.26 -31.06 68.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 65.3 mtt180 -69.6 -17.38 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.8 m-70 -82.72 -1.81 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.518 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -93.95 128.18 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 59.3 p -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -39.62 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 17.3 mt-10 -75.22 -45.57 39.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.6 mm-40 -83.33 -53.99 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.2 t80 -37.04 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -83.33 -40.32 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.4 mt-30 -64.24 -16.55 62.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.68 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.91 -33.74 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 23.87 12.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.696 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -165.09 175.44 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.0 p -95.15 140.63 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.7 tp -39.0 -39.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 61' ' ' ILE . 21.5 t -57.36 -42.45 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 47.4 mm-40 -79.12 -34.76 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.55 -48.37 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -18.27 56.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -89.48 3.6 51.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.696 HD11 ' SD ' ' A' ' 59' ' ' MET . 72.3 mt -84.91 176.24 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -80.91 137.96 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -37.09 -50.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p-90 -59.36 -39.36 83.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 25.5 tptt -68.96 -45.58 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -63.09 -29.38 70.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -94.13 -19.64 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.48 -43.83 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.56 -54.91 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.9 mtpt -51.24 -38.15 50.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -62.4 -36.11 81.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.41 -18.35 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.71 9.46 42.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.819 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.5 mtt180 56.23 30.95 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.9 mt -117.12 14.61 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.477 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -112.7 138.26 49.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 6.0 p -113.96 -45.04 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 102.68 124.32 5.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 t -118.81 143.4 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -75.59 130.74 39.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -82.33 -56.46 3.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -162.72 146.85 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.36 -105.91 1.97 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -48.28 124.95 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -45.48 147.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.63 154.3 25.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -120.3 -56.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.642 ' HB1' HG12 ' A' ' 19' ' ' ILE . . . -63.62 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 m -110.96 -175.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -125.65 53.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -108.24 152.26 24.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.43 -42.36 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -51.03 -66.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmt-85 -133.25 176.03 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -113.02 98.04 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 20.7 m-85 -90.58 102.33 15.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -53.04 139.41 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.642 HG12 ' HB1' ' A' ' 9' ' ' ALA . 22.2 mm -69.68 108.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB2' HD21 ' A' ' 25' ' ' LEU . 33.1 m-85 -118.21 148.69 44.28 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.66 0.743 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.635 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 139.12 39.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.893 ' CE2' HD21 ' A' ' 26' ' ' LEU . 48.4 t80 -47.59 -46.25 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.5 pt-20 -42.97 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.945 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.11 -22.18 64.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.9 mt -82.99 11.68 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.893 HD21 ' CE2' ' A' ' 22' ' ' TYR . 39.7 mt -73.0 167.66 20.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.714 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.4 p -134.99 13.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -61.26 115.95 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -55.01 -64.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -67.88 -6.84 23.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.36 -166.05 41.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -104.64 81.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -79.27 96.64 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.58 24.19 4.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -46.18 128.78 7.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.735 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -100.69 10.6 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -123.12 17.92 9.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -104.2 158.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -109.19 108.81 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 9.6 mpt_? -52.75 -15.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.0 p -104.4 -19.49 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -124.93 24.45 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ASP . 61.8 mt -50.82 -41.46 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 4.6 pm0 -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 20.7 mtt85 -66.72 -17.75 65.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 70.9 m-70 -81.52 -3.89 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.51 HD21 ' CA ' ' A' ' 22' ' ' TYR . 20.7 mt -94.51 129.82 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 150.46 41.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -51.81 -17.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.96 -41.28 23.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.0 mm-40 -91.57 -52.75 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.0 t80 -37.91 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.77 -40.19 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.2 mt-30 -64.92 -16.17 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.0 t -97.47 -57.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.3 m-85 -82.18 -33.79 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 24.5 12.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.685 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.92 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.8 p -96.56 141.18 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.0 tp -38.76 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.9 t -56.57 -42.88 79.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' THR . 39.4 mm-40 -78.98 -35.08 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -59.63 -51.58 69.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -18.64 37.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -89.16 3.71 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.685 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.4 mt -85.91 177.65 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.68 138.97 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -37.64 -49.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.509 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.8 p-90 -59.76 -40.17 87.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.2 tptt -68.59 -45.28 72.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -63.46 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -95.15 -19.42 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -82.84 -42.93 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.06 -51.31 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -52.67 -41.37 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -60.67 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -83.32 -18.69 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.58 8.89 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.714 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 57.99 31.5 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.8 mt -117.5 14.11 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' CZ ' ' CA ' ' A' ' 84' ' ' GLY . 12.8 t80 -110.94 144.14 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 p -112.69 -45.37 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.676 ' CA ' ' CZ ' ' A' ' 82' ' ' PHE . . . 73.3 92.2 0.12 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.53 37.97 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.5 p -89.35 113.98 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -65.08 152.21 44.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -95.78 98.38 10.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -105.34 142.0 35.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.93 119.48 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -101.12 -38.73 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -95.85 60.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.6 46.34 4.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.36 -47.8 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -170.88 144.92 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG13 HD11 ' A' ' 19' ' ' ILE . 33.8 m -37.6 129.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -92.39 38.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -62.17 129.55 41.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.05 -40.13 83.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ptp -57.37 -58.79 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -151.09 171.59 17.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.9 101.69 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.576 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.3 m-85 -93.18 103.69 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 64.7 tttt -53.25 134.84 39.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 10' ' ' VAL . 44.2 mm -64.68 112.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.529 ' CE1' ' HE2' ' A' ' 18' ' ' LYS . 34.2 m-85 -120.93 147.68 46.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.72 137.65 36.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.917 ' CE2' HD21 ' A' ' 26' ' ' LEU . 42.4 t80 -45.31 -47.45 13.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.8 pt-20 -41.85 -66.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.933 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.65 64.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.45 10.3 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 22' ' ' TYR . 41.9 mt -72.08 171.27 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.849 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p -134.74 35.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -91.32 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -80.92 -47.69 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -91.87 12.7 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.17 -162.06 24.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 -104.93 59.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 28' ' ' THR . 24.7 p-10 -92.95 121.88 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.4 tmt_? -120.61 35.0 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' ARG . 19.5 mt -35.44 128.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.3 Cg_endo -69.75 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.284 . . . . 0.0 112.366 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -100.93 10.96 40.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.78 18.4 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.88 157.71 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -109.78 108.34 18.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -16.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -102.31 -21.1 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -124.45 26.82 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ASP . 78.2 mt -52.88 -39.31 62.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -62.34 -35.13 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -63.93 -20.81 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.8 m-70 -78.01 -4.05 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.6 mt -93.19 128.78 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 93.5 p -61.46 138.61 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -39.07 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 22.1 mt-10 -74.35 -47.84 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.1 mm-40 -81.51 -53.64 6.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.624 ' CE2' HD12 ' A' ' 61' ' ' ILE . 18.6 t80 -37.38 -33.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.85 -39.47 19.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 18.7 mt-30 -64.97 -16.15 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.0 t -97.75 -57.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.1 m-85 -81.59 -33.14 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.06 23.05 15.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -163.61 174.48 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 67.1 p -94.83 140.96 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.7 tp -38.55 -39.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 12.2 t -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 32.8 mt-10 -78.55 -34.86 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -46.5 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.64 -16.95 62.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -91.21 5.14 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.5 mt -87.49 177.91 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.42 140.25 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.37 -50.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.1 p-90 -59.2 -39.89 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 24.0 tptt -68.92 -45.2 71.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.36 -28.47 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -95.51 -18.85 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.24 -43.32 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.09 -54.46 45.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.2 mtpt -51.27 -37.53 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.4 -34.2 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.73 -18.7 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.3 10.89 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.849 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.2 mtt85 55.5 31.24 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.2 mt -116.5 14.67 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 6.8 t80 -114.66 146.08 41.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -133.15 -43.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.55 114.33 1.98 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 92.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.29 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -72.17 169.02 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.3 p -121.38 -46.74 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -84.26 -53.37 5.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t 46.0 42.71 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -177.04 141.42 5.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 28.1 t -37.54 111.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -109.08 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.62 166.82 16.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 3.3 t30 -108.48 116.68 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.61 151.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 33.0 m -34.1 140.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -87.05 29.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -72.75 -174.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' MET . . . -135.47 -58.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.8 pmm? -35.43 -42.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' N ' ' HG2' ' A' ' 14' ' ' MET . 4.0 mmt85 -156.99 166.92 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -102.15 86.59 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 10.5 m-85 -81.92 102.3 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 22.4 tttp -58.8 146.99 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -72.5 107.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 25' ' ' LEU . 48.2 m-85 -118.44 147.5 42.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.725 0.774 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 140.35 42.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.886 ' CE1' HD21 ' A' ' 26' ' ' LEU . 39.6 t80 -47.57 -46.76 28.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -42.3 -67.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.41 -21.77 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.659 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.5 mt -82.34 10.59 6.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.886 HD21 ' CE1' ' A' ' 22' ' ' TYR . 33.0 mt -72.17 168.71 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.847 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.2 p -134.93 37.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.51 108.68 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -46.91 -63.94 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.22 53.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.17 -154.59 6.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -104.01 64.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -107.84 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -118.88 39.42 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.31 129.6 2.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.817 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.74 -173.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -102.87 12.77 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -125.88 17.81 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.742 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.78 160.52 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -110.58 105.05 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -18.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 69.5 p -101.49 -21.4 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.79 26.1 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.3 mt -52.56 -39.88 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -61.39 -32.38 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -68.4 -14.58 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -85.19 -1.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.9 mt -95.15 128.5 42.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' GLU . 7.9 p -63.05 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.3 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.9 mt-10 -71.94 -51.65 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -80.94 -53.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.6 t80 -36.8 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 7.7 t80 -85.42 -40.06 16.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -65.01 -16.54 63.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 22' ' ' TYR . 52.4 t -97.49 -55.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.0 m-85 -83.8 -35.14 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 25.62 10.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.572 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.84 178.4 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 61.3 p -97.65 140.28 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.6 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -39.48 -38.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -58.07 -42.06 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.0 mm-40 -78.72 -35.67 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.68 -48.45 81.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.97 -12.25 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -93.6 3.57 55.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.2 mt -86.58 177.12 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.96 140.08 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -36.16 -51.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 46.6 p-90 -58.85 -39.79 82.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ2' HD21 ' A' ' 75' ' ' LEU . 14.3 tptp -69.25 -46.71 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -63.35 -28.51 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.2 m-80 -94.71 -19.41 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.05 -43.59 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.676 HD21 ' HZ2' ' A' ' 71' ' ' LYS . 72.1 mt -61.2 -54.64 41.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.0 mtpt -51.08 -39.63 56.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -60.43 -34.03 73.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -83.61 -25.49 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.06 12.07 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.847 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 53.88 32.52 15.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.0 mt -116.18 13.0 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 5.0 t80 -115.42 146.97 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t -150.84 106.42 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.32 114.91 7.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.0 55.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 t 42.27 52.12 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -107.72 -52.85 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -122.49 -56.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -45.96 169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.25 138.07 5.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -82.62 150.68 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -163.55 158.01 20.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.05 -161.05 45.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -102.61 111.49 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -159.3 142.41 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 9' ' ' ALA . 17.8 m -34.6 135.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.57 45.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -68.32 -47.49 67.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.41 -69.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.7 mtm -38.81 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -111.73 -174.77 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -125.23 91.39 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.8 m-85 -90.01 104.0 16.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 10.0 ttmm -62.19 148.67 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -73.11 114.73 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' HB3' HD11 ' A' ' 24' ' ' LEU . 50.2 m-85 -125.81 148.13 61.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.721 0.772 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.79 138.17 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.869 ' CE2' HD21 ' A' ' 26' ' ' LEU . 59.9 t80 -44.26 -49.47 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -39.76 -70.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.915 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.56 -22.36 66.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.2 mt -82.16 10.82 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD21 ' CE2' ' A' ' 22' ' ' TYR . 27.3 mt -72.98 170.07 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.809 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.7 p -134.57 41.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.07 112.05 24.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 m -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 30' ' ' ARG . 2.5 ppt_? -81.57 41.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.4 -160.77 9.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 2.4 mpt_? -99.52 60.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -102.99 115.59 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.56 36.49 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.48 131.19 1.05 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.845 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.4 Cg_endo -69.74 -171.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.746 2.298 . . . . 0.0 112.345 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -104.05 12.35 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -125.67 18.23 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.736 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.11 158.33 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.27 107.16 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.61 -16.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 34.7 p -102.38 -20.46 14.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -127.64 29.11 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 75.6 mt -53.84 -42.26 68.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 23.1 pm0 -60.33 -29.71 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 19.0 mtt85 -70.08 -13.32 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 68.5 m-70 -85.9 -8.05 58.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.1 mt -86.67 132.29 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.5 p -66.3 138.73 57.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -39.42 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.0 mm-40 -72.59 -47.35 48.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' GLN . 13.5 mt-10 -85.83 -53.45 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.57 -32.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.6 t80 -83.01 -40.75 19.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.1 mt-30 -64.89 -17.07 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.7 t -96.46 -56.81 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 81' ' ' LEU . 72.0 m-85 -82.34 -34.53 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 24.61 10.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.52 176.24 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.8 p -96.17 139.73 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.523 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.3 -39.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.5 t -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' THR . 30.8 mt-10 -78.23 -34.96 48.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.35 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -19.57 50.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -88.53 2.74 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.1 mt -84.23 177.29 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.07 139.82 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.43 -49.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.2 p-90 -59.66 -39.93 86.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.6 tptt -68.85 -45.08 72.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.56 -28.16 69.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -96.7 -17.33 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 19.2 tt0 -85.5 -42.03 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.78 -55.3 31.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 52.0 mtpt -49.69 -39.19 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.56 -34.02 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -83.61 -20.71 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.9 9.12 44.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.809 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.2 mtt180 57.31 31.84 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.4 mt -117.14 14.44 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 10.0 t80 -114.29 145.99 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 t -133.04 -41.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.73 124.88 5.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -75.43 127.33 32.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.4 m -126.68 103.75 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -113.96 -25.92 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -68.12 128.65 37.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.68 -120.76 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -90.56 50.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -103.69 115.42 30.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.16 164.58 32.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.99 108.86 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -167.09 131.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 m -34.53 134.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -96.56 28.09 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.429 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 60.0 m95 -55.6 123.1 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.28 -52.06 52.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -44.07 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -137.53 174.42 10.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -112.48 108.84 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 23.5 m-85 -100.58 101.75 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -51.67 141.7 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -69.39 109.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 25' ' ' LEU . 39.3 m-85 -119.29 147.55 43.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.661 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.878 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.5 t80 -51.29 -44.84 61.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -44.26 -65.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.38 -22.05 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 15.5 mt -82.45 10.55 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.878 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.0 mt -71.21 168.6 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.0 p -135.04 30.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -41.54 117.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.3 m -56.44 -19.45 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' GLY . 8.4 mtp180 -127.81 -57.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' ARG . . . -34.5 147.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -73.57 78.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 155.91 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.8 tmt_? -121.5 31.64 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.59 128.79 75.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.592 0.711 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.832 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.356 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -100.87 14.42 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -126.89 16.19 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -102.23 155.72 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.4 t0 -108.79 108.7 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -15.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -101.84 -23.68 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -124.49 29.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 72.8 mt -53.69 -39.79 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 25.1 pm0 -62.9 -31.72 72.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 24.4 mtt85 -67.78 -16.04 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 71.2 m-70 -83.0 -5.62 59.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -89.31 130.77 35.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -62.02 137.04 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -38.74 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.7 mt-10 -75.79 -45.22 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.5 mt-10 -83.03 -52.41 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 61' ' ' ILE . 19.4 t80 -38.92 -33.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.54 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.39 -38.97 21.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.1 mt-30 -65.4 -16.03 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.97 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.63 ' CE1' HD12 ' A' ' 81' ' ' LEU . 76.8 m-85 -81.71 -32.73 31.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.43 23.89 15.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -164.72 173.31 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.0 p -93.43 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.4 tp -38.79 -39.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.7 t -57.19 -42.39 81.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.6 mm-40 -78.92 -34.53 44.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -13.17 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -92.84 3.69 55.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.1 mt -87.7 177.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.88 140.11 34.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.23 -50.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -59.33 -39.81 84.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.515 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.8 tptt -69.14 -45.5 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -63.96 -28.85 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.83 -18.79 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -84.09 -42.98 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.44 -54.09 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.8 mtpt -51.29 -40.49 59.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.77 -35.52 76.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.8 -19.39 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 14.3 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.827 ' C ' HG12 ' A' ' 27' ' ' VAL . 2.6 mtt-85 51.79 32.56 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.63 HD12 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -115.64 12.08 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 7.9 t80 -115.41 142.23 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -131.04 -38.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.88 140.44 10.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.55 10.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -70.5 84.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.3 m -105.62 165.69 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -48.5 109.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -157.79 129.99 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.69 -152.48 23.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t 40.59 41.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -136.9 158.37 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.3 -153.76 9.08 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 44.09 43.47 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.6 -179.78 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -64.59 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -126.81 35.83 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -83.87 121.61 27.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.82 98.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -48.03 -71.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -136.34 176.37 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -111.15 105.75 14.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 19.5 m-85 -96.2 101.53 13.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 53.8 tttt -53.25 135.76 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.21 109.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB3' HD11 ' A' ' 24' ' ' LEU . 45.0 m-85 -119.22 146.95 41.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.677 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 141.43 45.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.91 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.3 t80 -48.03 -47.46 33.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -41.58 -68.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.07 10.35 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.1 mt -73.03 170.28 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.8 HG12 ' C ' ' A' ' 80' ' ' ARG . 8.7 p -133.99 37.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 30.8 p -58.15 106.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -38.17 -70.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 33.9 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.42 -141.03 11.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -118.49 37.01 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' THR . 0.6 OUTLIER -54.81 139.33 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -127.91 44.88 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.44 130.94 93.71 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 52.8 Cg_endo -69.82 -173.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -102.28 13.12 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -125.83 16.98 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.14 154.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.13 106.16 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.544 HH21 HG23 ' A' ' 27' ' ' VAL . 44.8 mmm-85 -49.51 -18.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 59.5 p -99.05 -22.71 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -125.83 31.44 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 81' ' ' LEU . 98.3 mt -56.54 -43.82 80.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.66 -32.96 65.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.07 -23.14 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.4 m-70 -77.48 -3.59 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -93.9 129.0 40.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.6 p -61.93 138.48 58.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -38.94 -25.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.3 mm-40 -74.42 -47.97 30.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -81.45 -53.74 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.535 ' CE2' HD12 ' A' ' 61' ' ' ILE . 32.2 t80 -37.04 -33.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.6 t80 -82.85 -40.45 20.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.3 mt-30 -64.14 -16.22 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.95 -57.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.7 m-85 -81.41 -33.84 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.92 24.59 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.562 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.3 ptp -165.97 177.65 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLU . 58.8 p -97.48 141.09 30.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -38.61 -38.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 m -56.68 -43.33 80.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' THR . 12.1 mm-40 -78.48 -35.15 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 64.3 t80 -60.72 -50.01 75.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.4 -15.13 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 11.5 mtp-105 -90.19 2.72 55.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 71' ' ' LYS . 83.9 mt -86.42 177.3 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -88.14 141.56 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 19.8 tp -35.5 -53.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -55.55 -40.93 72.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' NZ ' HD21 ' A' ' 75' ' ' LEU . 14.0 tptp -69.46 -48.68 60.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 66.7 mtm180 -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.1 m-20 -93.25 -16.75 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 15.6 tt0 -85.04 -44.65 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.61 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 67.6 mt -59.38 -52.83 63.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.2 mtpt -51.09 -42.56 60.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -59.72 -33.35 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -83.82 -27.73 28.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.25 12.14 21.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.8 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.0 mtt180 54.32 34.58 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.6 mt -117.62 13.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.3 t80 -120.83 129.5 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 3.0 t -105.09 -51.63 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.59 92.41 1.6 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.86 4.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -86.42 38.87 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.9 t -136.74 124.44 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 m -70.65 -47.92 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.376 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -154.48 167.14 31.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.08 92.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 t -60.42 -47.95 83.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -83.08 153.69 24.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -143.47 -88.36 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.0 t-20 37.18 41.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -162.85 141.56 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 35.1 m -33.65 135.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -82.0 40.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.477 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 19.9 m95 -85.68 120.81 27.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.41 -39.99 41.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 mtm -50.71 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -131.15 178.8 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -118.67 91.85 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.5 m-85 -86.96 102.88 14.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.8 tttp -59.67 139.56 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.6 110.46 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.433 ' HB2' HD21 ' A' ' 25' ' ' LEU . 38.6 m-85 -122.19 147.75 50.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.707 0.765 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.655 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.77 141.11 44.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.414 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 47.2 t80 -48.96 -45.96 42.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -43.03 -66.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.26 -21.68 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.47 10.26 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 42.9 mt -71.82 168.76 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.7 p -135.01 31.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 28' ' ' THR . 18.8 p -43.68 116.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 29' ' ' THR . 41.1 m -57.46 -14.44 4.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' GLY . 7.4 mtp180 -128.09 -59.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ARG . . . -35.39 146.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -72.04 70.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -48.02 152.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -120.38 32.46 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.86 129.35 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.802 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.0 Cg_endo -69.81 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.15 11.46 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.79 18.96 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -102.95 158.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -110.22 104.39 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -50.07 -17.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.5 p -98.99 -22.95 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -128.23 33.16 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.1 mt -55.31 -39.93 70.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 12.6 pt-20 -60.61 -34.21 73.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -63.88 -19.05 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.5 m-70 -81.02 -3.71 52.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -91.89 126.04 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' GLU . 62.6 p -62.8 140.67 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -39.28 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.8 mt-10 -71.7 -51.89 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLN . 9.5 mt-10 -82.26 -53.59 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.665 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.3 t80 -35.95 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -85.76 -40.99 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.4 mt-30 -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.07 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.5 m-85 -81.01 -34.24 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.42 24.49 11.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.2 ptp -166.15 175.2 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.6 p -94.09 142.22 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -41.18 -33.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.5 t -62.22 -41.15 98.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.7 mm-40 -80.12 -33.55 38.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.7 t80 -61.38 -45.05 95.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.89 -16.5 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -91.12 3.12 55.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.3 mt -86.42 176.36 7.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.46 141.72 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.6 tp -38.18 -53.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.6 p-90 -55.16 -41.03 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.2 tptt -68.27 -48.12 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -63.85 -29.51 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.6 m-20 -94.72 -15.27 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 4.5 tp10 -88.41 -43.93 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.12 -55.43 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -49.42 -39.84 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 58.6 mttt -60.12 -33.83 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -84.82 -20.7 30.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.51 10.45 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.713 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.9 mtt85 56.43 32.02 19.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.1 mt -117.75 15.67 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 28.5 t80 -116.73 133.13 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -122.22 -40.4 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.83 140.68 8.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.34 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.9 p -128.94 149.71 50.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -106.67 162.86 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -94.61 152.09 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 110.817 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -101.75 94.23 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.23 97.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -156.77 168.04 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -166.28 128.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.4 160.32 20.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -50.49 116.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.33 137.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -98.62 136.08 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.3 t30 -117.41 47.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 11' ' ' ASN . 59.6 m95 -33.69 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.77 -29.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 14' ' ' MET . 4.1 mpp? -80.43 -62.38 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -103.35 100.26 10.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 18.3 m-85 -91.43 101.49 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.09 155.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 19' ' ' ILE . 13.9 mm -83.16 106.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.47 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.9 m-85 -117.15 147.63 40.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.67 140.92 44.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -48.17 -46.58 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -42.5 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.65 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.1 mt -82.53 10.83 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.5 mt -72.95 167.54 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p -131.82 41.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -59.26 113.21 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.5 m -49.19 -61.73 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -86.21 -40.96 15.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.88 165.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -91.39 70.51 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.9 150.08 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -119.27 35.48 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.55 128.4 91.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.804 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.81 -172.9 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -102.94 10.5 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -123.68 19.17 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.1 156.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -108.04 107.24 17.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -16.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -19.76 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -127.73 28.05 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.6 mt -52.13 -38.24 56.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 18.8 pt-20 -62.55 -35.43 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -63.86 -18.26 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.9 m-70 -81.74 -3.26 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.2 mt -92.68 126.32 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' GLU . 77.7 p -60.73 138.95 58.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -39.67 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' SER . 24.8 mm-40 -74.71 -45.79 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.1 mm-40 -84.82 -53.27 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.655 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.5 t80 -37.44 -30.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.512 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.2 t80 -85.93 -39.92 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.5 mt-30 -64.46 -16.56 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.0 t -97.24 -57.46 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.4 m-85 -81.66 -34.32 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.64 22.28 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.605 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -162.52 176.52 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -96.49 141.04 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.24 -38.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t -57.28 -42.55 81.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 24.4 mt-10 -79.07 -35.19 42.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.606 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 61.0 t80 -61.02 -49.76 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -19.15 49.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -88.7 4.16 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD11 ' SD ' ' A' ' 59' ' ' MET . 91.0 mt -86.77 176.31 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.69 141.53 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.77 -53.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.8 p-90 -54.95 -40.65 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -68.77 -48.37 63.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 55.7 mtm180 -63.59 -29.65 70.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.1 m-20 -94.36 -15.15 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 8.0 tp10 -88.43 -44.17 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.63 -52.87 63.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 47.5 mtpt -51.36 -39.23 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -61.46 -33.61 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -84.41 -20.35 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.89 9.95 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.832 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.8 mtt180 56.19 32.37 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.1 mt -116.73 9.69 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.2 t80 -109.69 136.94 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 m -130.16 -39.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.12 125.16 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 174.58 9.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 p -66.42 130.27 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -51.32 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -80.79 102.23 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -97.06 171.94 8.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.53 -177.33 36.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 p -126.24 154.79 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -49.05 168.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.54 -37.02 3.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -94.36 -38.43 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -156.68 136.3 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 9' ' ' ALA . 31.7 m -33.83 135.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -90.79 25.79 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -59.65 124.73 21.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.6 -27.19 65.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -66.37 -69.82 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -126.94 179.7 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -117.74 93.74 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.6 m-85 -91.09 102.06 14.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.7 tttp -56.83 137.5 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.4 mm -65.17 110.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.566 ' HB2' HD21 ' A' ' 25' ' ' LEU . 47.5 m-85 -121.96 147.83 49.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.76 140.16 41.99 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.902 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -46.19 -48.89 17.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -40.69 -69.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.97 -22.4 66.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.47 8.23 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.1 mt -70.43 169.69 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.719 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.2 p -132.56 26.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 18.9 p -41.95 125.11 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.3 m -65.36 -50.4 65.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -123.17 34.34 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.86 -148.7 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -120.1 60.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.8 OUTLIER -74.23 142.92 45.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 1.4 tmt_? -125.07 43.26 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.2 131.58 80.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.28 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -102.89 11.96 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.26 18.67 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.728 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.06 156.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.68 106.43 16.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -17.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.424 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 80.8 p -102.57 -22.26 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -124.25 26.22 7.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.9 mt -50.1 -39.72 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 9.2 pt-20 -62.32 -33.13 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 66.8 mtt180 -65.9 -15.19 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.4 m-70 -85.04 -4.22 59.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 22' ' ' TYR . 18.5 mt -91.24 127.34 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 28.3 p -63.86 140.36 58.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -39.0 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mm-40 -70.9 -50.33 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.4 mt-10 -83.98 -53.77 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 61' ' ' ILE . 35.9 t80 -36.7 -32.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 5.9 t80 -84.48 -40.44 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.1 mt-30 -64.31 -16.11 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 22' ' ' TYR . 59.9 t -98.1 -56.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 83.3 m-85 -82.39 -34.45 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 23.53 12.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.627 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -163.92 178.11 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 35.9 p -97.68 141.73 30.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.597 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -40.17 -37.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -58.55 -41.71 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' THR . 27.5 mm-40 -80.41 -34.98 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 60.8 t80 -60.5 -48.67 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -17.91 57.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.98 4.74 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.627 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.1 mt -88.12 176.89 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.29 141.56 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 21.0 tp -37.87 -53.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.581 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.4 p-90 -55.08 -41.25 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.2 tptt -68.24 -47.74 66.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -64.07 -29.79 70.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.457 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.9 m-20 -94.01 -15.35 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 16.9 tt0 -86.75 -43.38 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.92 -53.11 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.2 mtpt -50.41 -41.44 52.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 82' ' ' PHE . 82.2 mttt -59.63 -34.87 73.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.13 -19.68 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.49 11.57 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.719 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.3 mtp85 55.05 32.52 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.6 mt -117.77 14.51 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.594 ' CE2' ' HE2' ' A' ' 77' ' ' LYS . 76.2 t80 -116.98 130.13 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' GLY . 1.7 t -126.68 45.36 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -36.17 112.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.19 6.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -88.24 101.13 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -50.75 159.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -73.94 -48.7 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -116.54 154.27 30.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 121.58 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -117.32 42.47 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -46.23 98.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 95.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 47.15 41.96 12.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.13 -176.89 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG21 ' HD1' ' A' ' 12' ' ' TRP . 23.9 m -67.49 179.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.77 38.81 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.48 ' HD1' HG21 ' A' ' 10' ' ' VAL . 67.8 m95 -79.37 120.73 24.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.91 -39.29 93.32 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -55.6 -66.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -135.55 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -112.42 102.31 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 24.3 m-85 -92.98 103.72 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 37.0 tttp -54.91 142.36 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.78 109.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.2 m-85 -121.2 147.26 46.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.687 0.756 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.71 141.22 44.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.286 . . . . 0.0 112.381 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.933 ' CE2' HD21 ' A' ' 26' ' ' LEU . 43.8 t80 -47.71 -48.34 29.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -41.17 -69.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.81 -21.92 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.8 mt -82.5 11.06 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 22' ' ' TYR . 31.9 mt -74.73 168.61 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.752 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p -135.03 27.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' VAL . 31.8 p -33.62 132.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 29' ' ' THR . 48.9 m -70.76 -15.81 62.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -125.86 -63.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -39.51 149.31 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -77.65 83.73 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -53.23 146.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -106.41 31.89 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD13 ' NE ' ' A' ' 41' ' ' ARG . 15.5 mt -63.32 130.07 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.749 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -101.9 10.73 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -122.73 17.14 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.743 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.1 m -103.56 151.27 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -105.71 109.48 21.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' NE ' HD13 ' A' ' 35' ' ' LEU . 14.8 mmt-85 -51.54 -16.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 40.0 p -102.5 -18.2 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -125.84 25.7 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ASP . 88.9 mt -53.19 -42.58 66.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE1' ' CE2' ' A' ' 64' ' ' PHE . 16.8 pt-20 -57.59 -34.49 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -65.43 -22.35 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 78.8 m-70 -79.0 -3.09 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.6 mt -93.73 129.45 40.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLU . 31.3 p -63.31 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -38.94 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.8 mm-40 -75.74 -46.18 32.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.4 mm-40 -82.98 -53.22 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 61' ' ' ILE . 27.3 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.9 t80 -83.86 -40.2 18.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 19.0 mt-30 -64.73 -16.26 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG11 ' CD1' ' A' ' 22' ' ' TYR . 58.5 t -97.6 -56.72 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.6 m-85 -82.76 -34.31 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.41 24.54 11.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.568 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.55 178.17 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 63' ' ' GLU . 30.2 p -97.55 142.08 29.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.2 tp -41.5 -34.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 m -61.29 -40.76 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' THR . 40.7 mt-10 -81.58 -34.49 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CE2' ' OE1' ' A' ' 45' ' ' GLU . 69.4 t80 -59.5 -47.9 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -16.72 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.17 2.39 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.428 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.5 mt -84.8 177.03 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.88 139.07 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -35.55 -51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.483 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.3 p-90 -59.14 -41.22 87.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ALA . 22.6 tptp -67.86 -45.86 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.642 HD21 ' HE2' ' A' ' 82' ' ' PHE . 10.8 m120 -95.35 -19.04 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -82.69 -43.24 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.483 HD11 ' HZ2' ' A' ' 71' ' ' LYS . 88.4 mt -60.69 -54.95 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.8 mtpt -49.29 -39.68 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 79.8 mttt -62.13 -34.07 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.35 -18.35 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.09 10.9 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.752 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.3 mtt85 56.24 32.06 19.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.7 mt -117.4 13.68 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.642 ' HE2' HD21 ' A' ' 73' ' ' ASN . 13.9 t80 -122.79 133.61 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -134.99 85.99 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -38.26 100.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.92 4.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 t -118.47 137.16 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -125.15 -48.83 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -143.76 147.06 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -79.53 -46.23 17.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.39 -77.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -104.18 152.01 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -112.21 -53.64 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.02 165.26 23.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.18 92.98 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -171.85 152.05 2.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.1 m -35.39 131.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -88.35 38.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -67.22 177.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.01 -47.66 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -51.45 -41.33 60.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.877 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' MET . 1.8 mmt-85 -156.8 -177.49 6.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -116.13 91.88 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 16.4 m-85 -89.19 101.94 14.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 17.1 ttmt -56.03 143.61 31.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.401 HG23 ' OG ' ' A' ' 49' ' ' SER . 20.1 mm -69.67 108.58 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 47.5 m-85 -117.99 147.33 41.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.746 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.76 138.78 38.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 40.1 t80 -46.12 -47.72 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.563 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.6 pt-20 -41.35 -67.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.72 -21.6 65.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.53 10.64 6.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 34.0 mt -72.7 169.13 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.751 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.3 p -135.01 17.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 106.39 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -80.74 46.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.11 -156.01 7.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -111.57 68.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.12 112.28 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -101.28 30.42 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.54 125.03 6.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.833 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.8 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 9.33 43.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.6 18.32 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.76 157.12 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.9 m-20 -108.14 107.15 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -51.31 -16.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 p -101.41 -22.15 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -125.08 28.67 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' ASP . 81.0 mt -52.88 -41.96 64.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -60.36 -30.28 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -69.62 -14.59 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 69.8 m-70 -85.01 -4.19 59.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -90.72 132.76 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -63.83 136.92 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -38.98 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.9 mt-10 -75.2 -45.7 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.7 mm-40 -83.03 -53.63 5.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.7 t80 -37.62 -32.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.09 -39.53 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.1 mt-30 -65.24 -16.12 63.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.94 -57.09 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.5 m-85 -81.39 -33.04 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.84 24.25 13.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.638 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.4 ptp -165.52 173.3 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 72.6 p -93.69 141.97 27.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 tp -39.05 -39.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 7.9 m -57.02 -42.36 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 33.1 mt-10 -79.09 -34.6 43.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.95 -51.54 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.72 -12.31 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -93.16 2.29 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.638 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.8 mt -86.48 178.31 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.02 139.3 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 tm? -36.66 -53.66 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.5 p-90 -56.39 -40.81 75.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.5 tptt -67.69 -47.23 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.25 -29.5 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -93.17 -19.65 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -82.99 -43.44 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.46 -55.91 28.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -50.22 -41.39 49.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 75.0 mttt -59.3 -35.72 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.65 -19.81 40.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.19 9.61 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.751 ' C ' HG12 ' A' ' 27' ' ' VAL . 4.6 mtt180 57.07 31.97 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.26 15.23 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 14.7 t80 -116.91 143.56 45.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -132.54 -37.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.09 141.32 12.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 113.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -93.5 136.16 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.6 m -101.71 108.74 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.543 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.5 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.956 0.408 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 41.9 tttt -57.89 150.53 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mm -76.19 108.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.47 147.42 45.33 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.8 140.64 43.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 53.2 t80 -46.85 -48.33 21.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -40.96 -69.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.3 mt -82.14 10.35 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.6 mt -72.72 169.47 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.851 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' NE ' ' A' ' 41' ' ' ARG . 16.4 mt -62.39 130.02 92.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.83 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.8 -173.94 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -101.38 12.13 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -124.13 16.53 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.4 m -104.0 153.3 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.0 t0 -106.18 109.94 22.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NE ' HD13 ' A' ' 35' ' ' LEU . 25.9 mmt-85 -53.01 -14.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 36.7 p -102.04 -23.36 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -125.83 30.71 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.5 mt -54.46 -39.16 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.9 pm0 -61.45 -35.09 76.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 69.6 mtt180 -63.62 -17.98 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.3 m-70 -82.53 -3.74 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.7 mt -91.54 130.65 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.0 p -62.96 139.47 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -40.28 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.7 mm-40 -74.85 -47.79 28.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 mm-40 -82.18 -53.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.6 t80 -37.7 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -86.25 -40.16 15.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.8 mt-30 -64.38 -16.34 62.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.2 t -97.73 -57.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.81 -33.87 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.52 24.6 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.91 175.72 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 69.0 p -95.52 140.65 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -38.85 -39.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 61' ' ' ILE . 42.3 t -56.8 -42.47 79.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.9 mm-40 -78.76 -35.4 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -59.77 -45.42 92.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.02 -16.86 63.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.49 1.44 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.4 mt -84.84 175.92 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.78 141.5 32.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.5 tp -37.91 -53.48 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -55.29 -40.73 71.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 23.8 tptt -68.54 -47.76 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -64.16 -29.08 70.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.8 m-20 -95.28 -15.87 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 18.9 tt0 -86.42 -43.97 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.19 -54.59 44.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 49.9 mtpt -49.07 -41.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 78.5 mttt -60.48 -33.67 72.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -83.91 -22.24 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.84 6.89 47.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.851 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.2 mtt180 59.61 32.17 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.621 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.3 mt -117.39 14.49 14.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.0 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.7 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.981 0.419 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 28.6 tttp -55.69 133.49 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.7 mm -61.91 110.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 43.1 m-85 -121.59 147.46 47.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 142.5 47.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.894 ' CE1' HD21 ' A' ' 26' ' ' LEU . 33.3 t80 -50.18 -45.43 53.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -43.5 -65.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.17 -21.58 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.8 mt -82.48 10.31 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.894 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.9 mt -71.92 167.42 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.773 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.08 127.56 93.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.816 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.78 -173.36 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -102.0 11.55 38.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.05 17.48 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.41 154.22 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.7 m-20 -107.43 107.81 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -17.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.3 p -101.87 -21.82 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -122.92 25.89 8.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.8 mt -52.04 -43.03 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' CD ' ' HD2' ' A' ' 76' ' ' LYS . 16.8 pt-20 -59.24 -33.81 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -65.57 -20.64 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 75.3 m-70 -79.54 -2.48 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.8 mt -93.53 128.77 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 90.5 p -62.23 138.8 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -39.86 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 10.3 mt-10 -75.07 -46.21 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.2 mm-40 -83.52 -53.8 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.1 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.62 -40.03 17.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-30 -64.49 -16.38 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 ' CE2' ' A' ' 22' ' ' TYR . 58.7 t -97.92 -57.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -81.5 -33.6 31.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.77 23.25 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -164.55 175.08 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.0 p -94.93 141.79 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.18 -39.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 30.4 t -57.22 -42.43 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.5 mt-10 -78.73 -34.95 45.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.8 t80 -60.64 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.75 -16.77 52.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -90.43 3.55 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 59' ' ' MET . 85.0 mt -86.14 178.01 7.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -85.25 140.24 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -37.37 -48.97 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.5 p-90 -60.2 -40.26 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.7 tptt -69.26 -44.8 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -65.06 -28.22 69.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' ND2' HD22 ' A' ' 69' ' ' LEU . 32.7 m-80 -95.62 -18.48 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.19 -43.0 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.23 -53.09 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.6 mtpt -50.73 -40.63 55.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 68.8 mttt -61.24 -35.09 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -81.83 -18.26 44.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.25 11.47 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.773 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.1 mtp85 55.06 31.99 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.8 mt -116.99 13.22 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.468 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 4.7 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.8 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 42.3 tttt -59.46 145.43 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 mm -71.28 108.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 49.4 m-85 -121.17 148.41 49.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.656 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 146.45 60.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.875 ' CE1' HD21 ' A' ' 26' ' ' LEU . 32.2 t80 -55.35 -41.89 73.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -46.64 -63.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.73 -21.59 62.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 24' ' ' LEU . 20.1 mt -83.27 11.26 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.875 HD21 ' CE1' ' A' ' 22' ' ' TYR . 41.3 mt -71.67 168.43 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.785 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.3 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 39' ' ' VAL . 15.3 mt -52.83 131.05 48.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -100.3 10.17 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.67 156.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.19 107.84 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -51.33 -16.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 42.6 p -102.08 -19.92 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -127.28 28.31 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.4 mt -53.51 -38.92 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -61.08 -34.42 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -64.45 -18.68 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -82.05 -3.59 54.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.2 mt -91.91 128.96 37.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLU . 46.1 p -61.21 139.75 58.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -40.89 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mt-10 -75.56 -47.57 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.0 mm-40 -82.38 -53.19 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.6 t80 -37.5 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -85.36 -39.79 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' GLU . 21.4 mt-30 -64.5 -15.79 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 22' ' ' TYR . 59.9 t -98.96 -57.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.8 m-85 -80.87 -32.74 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.25 23.94 15.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.697 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.64 176.26 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' GLU . 56.3 p -96.96 141.9 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 tp -39.37 -38.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 20.3 t -57.11 -42.34 80.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' THR . 82.7 mt-10 -79.68 -34.99 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.88 -50.78 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.87 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -88.83 2.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.697 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.6 mt -84.92 178.39 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.92 139.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.5 tm? -37.87 -49.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 51.3 p-90 -59.76 -40.39 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.1 tptt -68.69 -45.01 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -64.57 -28.26 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.7 m-80 -95.69 -18.76 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -83.74 -42.99 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.43 -54.13 49.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 51.1 mtpt -50.84 -39.83 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -61.26 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.31 -19.74 33.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.5 10.42 41.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.785 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.1 mtt180 55.91 32.69 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.5 mt -117.58 11.62 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.417 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 10.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 11.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.979 0.419 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 61.7 tttt -63.03 132.66 52.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.01 111.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.3 m-85 -122.88 148.76 54.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.703 0.763 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.79 142.65 48.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.38 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.907 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.0 t80 -50.24 -46.0 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -43.07 -66.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.926 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.98 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.1 mt -82.21 9.73 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 22' ' ' TYR . 36.6 mt -71.07 169.86 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.769 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.816 0.341 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.75 128.96 14.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.812 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.73 -174.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.27 39.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.76 17.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -103.5 155.04 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.3 t0 -107.43 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -14.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.9 p -102.39 -24.21 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -123.7 28.78 6.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' ASP . 69.7 mt -51.81 -39.56 58.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 13.2 pt-20 -61.84 -34.56 76.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -64.32 -17.63 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 74.8 m-70 -82.76 -0.41 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.9 mt -95.36 122.99 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.8 p -59.67 140.42 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -39.2 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.3 mt-10 -72.29 -50.81 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -81.95 -53.52 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.28 -33.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.36 -40.56 17.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.7 mt-30 -64.51 -16.45 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 22' ' ' TYR . 57.7 t -97.29 -57.37 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.8 m-85 -81.95 -33.91 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.17 24.11 11.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.737 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.1 174.52 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.2 p -93.99 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.29 -40.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 61' ' ' ILE . 1.9 m -57.36 -41.92 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' THR . 57.0 mm-40 -78.9 -34.92 44.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 68.0 t80 -59.59 -49.12 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.82 -12.95 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -93.81 3.9 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.0 mt -88.27 176.2 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.99 141.21 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.38 -53.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.8 p-90 -55.57 -41.2 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.6 tptt -67.98 -47.62 68.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -64.59 -29.59 70.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 93.0 m-20 -94.89 -15.2 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 3.8 tp10 -87.32 -43.38 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.6 -54.02 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.6 mtpt -50.21 -37.47 35.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -63.0 -33.66 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -85.1 -18.13 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.24 10.08 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.769 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.5 mtt85 56.55 30.12 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.4 mt -116.39 14.68 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 11.8 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.1 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -50.74 152.0 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' ILE . 23.9 mm -78.21 108.77 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' HD21 ' A' ' 25' ' ' LEU . 40.7 m-85 -119.07 147.42 42.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 142.43 47.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.863 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.8 t80 -50.15 -45.32 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -43.52 -65.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.919 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.5 -21.54 63.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.6 mt -82.79 10.37 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.863 HD21 ' CE2' ' A' ' 22' ' ' TYR . 33.3 mt -71.25 169.81 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.738 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.95 128.61 77.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.826 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.77 -172.47 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -103.41 11.11 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -124.51 19.01 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.25 153.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.42 107.72 18.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.4 -16.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -102.59 -21.07 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -124.93 26.72 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ASP . 73.1 mt -52.39 -39.38 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.0 pt-20 -61.13 -33.85 74.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.33 -18.83 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.5 m-70 -81.1 -3.08 50.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.503 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.7 mt -94.11 125.23 38.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.28 148.97 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -51.21 -17.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -82.51 -39.2 22.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 4.1 mt-10 -91.88 -52.8 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.2 t80 -37.75 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -86.44 -39.89 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.6 mt-30 -64.32 -16.06 61.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.9 t -98.39 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.8 m-85 -81.31 -33.74 32.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.84 22.29 16.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.743 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -162.68 175.69 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 33.9 p -95.96 140.96 29.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.87 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 61' ' ' ILE . 13.9 t -57.13 -42.68 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 25.3 mt-10 -78.86 -34.94 44.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.0 t80 -59.78 -46.92 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.81 -18.4 62.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -89.9 3.48 52.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.743 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.9 mt -85.09 176.92 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.06 139.79 34.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.21 -50.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.7 p-90 -58.85 -39.6 81.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.501 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.4 tptt -68.82 -45.67 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -96.06 -18.93 19.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -84.39 -43.17 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.66 -55.66 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -49.85 -38.14 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -61.87 -34.01 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -84.32 -18.36 36.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.34 10.29 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.738 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.9 mtt180 56.1 32.14 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.47 14.95 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.7 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 22.5 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.903 0.382 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -53.56 138.12 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 111.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.491 ' HB2' HD21 ' A' ' 25' ' ' LEU . 43.9 m-85 -120.72 147.32 45.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.76 142.26 47.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.891 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.4 t80 -49.44 -46.82 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -42.28 -67.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.929 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.38 -22.07 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.0 mt -81.99 9.71 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.891 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.9 mt -71.28 168.56 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.82 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 1.5 tmt_? . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.844 0.354 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.21 129.49 83.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.85 -175.59 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.285 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 14.68 31.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -127.27 16.36 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -101.43 154.7 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m-20 -107.64 105.24 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -50.06 -17.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -126.83 29.72 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 91.8 mt -54.1 -41.05 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 5.3 pm0 -59.41 -32.4 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 61.9 mtt180 -66.72 -19.71 65.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.6 m-70 -80.01 -1.79 41.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.509 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -95.7 124.87 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.8 p -60.36 139.43 57.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -38.94 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.4 mt-10 -71.32 -50.26 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.0 mt-10 -82.38 -53.58 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HD12 ' A' ' 61' ' ' ILE . 23.4 t80 -36.48 -33.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -84.18 -40.25 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.5 mt-30 -64.48 -16.64 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.8 t -97.4 -57.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.5 m-85 -81.27 -33.74 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 23.84 13.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -164.86 174.95 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -94.63 141.11 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.634 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.24 -39.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.408 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.1 t -57.39 -42.29 81.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 19.4 mm-40 -78.94 -35.04 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.47 -49.56 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -18.42 51.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -89.42 2.56 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 79.8 mt -84.31 176.72 8.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.16 139.5 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -38.37 -51.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.511 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -58.75 -39.37 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.3 tptt -68.98 -45.66 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -63.65 -28.73 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -95.3 -18.52 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.03 -43.41 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.15 -54.11 49.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.1 mtpt -51.45 -37.78 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -62.87 -35.01 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.13 -18.27 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.33 10.5 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.82 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.7 OUTLIER 55.03 32.09 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.0 mt -117.22 12.86 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.2 t80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 14.7 m-85 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.977 0.418 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 70.9 tttt -56.83 142.13 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.5 mm -68.58 108.06 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 24' ' ' LEU . 44.9 m-85 -118.99 147.15 41.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.713 0.768 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 140.73 43.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.7 t80 -47.44 -47.66 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -41.46 -68.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.37 -21.81 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.48 10.64 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.8 mt -72.76 170.27 14.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.431 HD13 ' NE ' ' A' ' 41' ' ' ARG . 19.7 mt -66.92 128.74 93.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.76 -172.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -103.24 14.0 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -127.12 17.18 7.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -102.59 157.5 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.2 t0 -110.77 109.84 20.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' NE ' HD13 ' A' ' 35' ' ' LEU . 7.3 mmt85 -50.84 -16.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -102.34 -21.91 14.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.18 25.72 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.5 mt -52.55 -38.87 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.3 pt-20 -63.3 -35.81 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -63.2 -19.55 64.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 80.6 m-70 -80.58 -2.42 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -94.91 129.17 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.5 p -62.03 139.06 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -40.19 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.9 mt-10 -75.44 -46.83 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.5 mm-40 -82.96 -53.11 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.0 t80 -37.73 -32.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.34 -39.83 18.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -64.47 -16.25 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.5 -58.49 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -80.64 -33.19 35.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.53 23.48 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.6 173.76 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.5 p -93.72 141.56 28.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.2 tp -38.76 -39.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.6 t -56.96 -42.7 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.4 mm-40 -78.58 -34.51 46.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.5 t80 -60.62 -46.69 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.9 -16.8 62.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -91.05 5.28 49.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.0 mt -88.31 177.04 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.04 140.42 33.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.81 -49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.502 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.4 p-90 -59.67 -39.7 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.9 tptt -69.1 -45.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -65.03 -28.27 69.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.0 m-80 -95.83 -17.37 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.47 -42.56 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -53.89 51.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 52.6 mtpt -51.14 -41.95 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -58.86 -34.59 71.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.57 -25.04 33.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.84 12.13 29.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.806 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER 54.07 33.77 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.3 mt -117.15 11.84 14.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 5.6 t80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.9 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.93 0.395 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 21.0 ttmt -56.8 147.64 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.0 mm -73.63 106.24 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 49.7 m-85 -116.71 147.55 40.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.83 141.88 46.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.928 ' CE2' HD21 ' A' ' 26' ' ' LEU . 37.1 t80 -50.03 -45.71 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.942 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.68 -22.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.3 mt -82.11 10.64 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' CE2' ' A' ' 22' ' ' TYR . 47.1 mt -73.16 168.86 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.774 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.1 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.821 0.343 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.17 128.75 12.46 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.739 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -101.46 11.33 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -123.97 17.77 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.718 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.07 156.94 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -108.64 107.42 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -50.69 -17.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.44 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 78.3 p -102.28 -21.77 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -124.35 26.3 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.9 mt -50.89 -40.92 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.584 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 pt-20 -60.57 -35.32 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -62.79 -19.3 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 79.7 m-70 -81.56 -3.73 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.4 mt -92.59 129.99 38.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLU . 30.9 p -63.65 137.84 58.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -38.63 -26.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.6 mt-10 -71.91 -47.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.2 mm-40 -84.76 -53.43 5.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 61' ' ' ILE . 38.5 t80 -36.81 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.0 t80 -83.46 -40.87 18.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.7 mt-30 -63.72 -16.24 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.76 -58.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.7 m-85 -80.67 -33.67 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.11 23.5 12.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.689 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.54 175.19 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.345 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.2 p -94.53 141.34 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.9 tp -39.31 -39.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.0 t -57.64 -42.02 82.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 9.3 mm-40 -79.21 -34.75 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 64.6 t80 -60.49 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -62.33 -16.31 53.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -91.06 3.52 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.689 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.3 mt -86.45 177.35 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.16 140.58 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -38.42 -50.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.8 p-90 -58.9 -41.48 87.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -67.19 -45.15 77.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -64.5 -28.24 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -94.3 -19.74 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.21 -42.64 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.7 -55.1 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.0 mtpt -48.8 -38.77 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.16 -33.64 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.15 -17.8 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.24 11.05 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.774 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.8 mtt85 55.48 31.53 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.9 mt -116.58 13.84 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 3.4 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 27.8 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.95 0.405 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 49.3 tttt -48.79 141.73 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mm -72.8 110.45 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.84 147.07 45.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.71 141.92 46.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.906 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.8 t80 -48.34 -47.75 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -41.49 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.918 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.95 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.98 9.87 7.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.906 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.6 mt -71.77 168.01 18.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.819 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.02 127.58 93.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.74 -172.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -1.97 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -109.34 19.87 18.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -106.69 154.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.03 105.14 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -50.51 -17.22 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.6 p -99.26 -22.12 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -127.93 32.29 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.4 mt -56.63 -39.98 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.2 pm0 -59.26 -31.06 68.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 65.3 mtt180 -69.6 -17.38 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.8 m-70 -82.72 -1.81 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.518 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -93.95 128.18 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 59.3 p -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -39.62 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 17.3 mt-10 -75.22 -45.57 39.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.6 mm-40 -83.33 -53.99 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.2 t80 -37.04 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -83.33 -40.32 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.4 mt-30 -64.24 -16.55 62.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.68 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.91 -33.74 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 23.87 12.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.696 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -165.09 175.44 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.0 p -95.15 140.63 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.7 tp -39.0 -39.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 61' ' ' ILE . 21.5 t -57.36 -42.45 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 47.4 mm-40 -79.12 -34.76 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.55 -48.37 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -18.27 56.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -89.48 3.6 51.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.696 HD11 ' SD ' ' A' ' 59' ' ' MET . 72.3 mt -84.91 176.24 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -80.91 137.96 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -37.09 -50.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p-90 -59.36 -39.36 83.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 25.5 tptt -68.96 -45.58 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -63.09 -29.38 70.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -94.13 -19.64 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.48 -43.83 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.56 -54.91 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.9 mtpt -51.24 -38.15 50.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -62.4 -36.11 81.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.41 -18.35 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.71 9.46 42.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.819 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.5 mtt180 56.23 30.95 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.9 mt -117.12 14.61 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.421 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 6.4 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 20.7 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.947 0.403 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -53.04 139.41 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.2 mm -69.68 108.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB2' HD21 ' A' ' 25' ' ' LEU . 33.1 m-85 -118.21 148.69 44.28 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.66 0.743 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.635 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 139.12 39.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.893 ' CE2' HD21 ' A' ' 26' ' ' LEU . 48.4 t80 -47.59 -46.25 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.5 pt-20 -42.97 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.945 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.11 -22.18 64.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.9 mt -82.99 11.68 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.893 HD21 ' CE2' ' A' ' 22' ' ' TYR . 39.7 mt -73.0 167.66 20.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.714 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.4 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -46.18 128.78 7.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.735 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -100.69 10.6 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -123.12 17.92 9.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -104.2 158.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -109.19 108.81 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' HG23 ' A' ' 39' ' ' VAL . 9.6 mpt_? -52.75 -15.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.0 p -104.4 -19.49 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -124.93 24.45 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ASP . 61.8 mt -50.82 -41.46 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 4.6 pm0 -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 20.7 mtt85 -66.72 -17.75 65.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 70.9 m-70 -81.52 -3.89 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.51 HD21 ' CA ' ' A' ' 22' ' ' TYR . 20.7 mt -94.51 129.82 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 150.46 41.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -51.81 -17.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.96 -41.28 23.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.0 mm-40 -91.57 -52.75 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.0 t80 -37.91 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.77 -40.19 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.2 mt-30 -64.92 -16.17 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.0 t -97.47 -57.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.3 m-85 -82.18 -33.79 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 24.5 12.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.685 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.92 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.8 p -96.56 141.18 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.0 tp -38.76 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.9 t -56.57 -42.88 79.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' THR . 39.4 mm-40 -78.98 -35.08 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -59.63 -51.58 69.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -18.64 37.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -89.16 3.71 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.685 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.4 mt -85.91 177.65 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.68 138.97 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -37.64 -49.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.509 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.8 p-90 -59.76 -40.17 87.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.2 tptt -68.59 -45.28 72.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -63.46 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -95.15 -19.42 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -82.84 -42.93 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.06 -51.31 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -52.67 -41.37 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -60.67 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.32 -18.69 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.58 8.89 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.714 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 57.99 31.5 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.8 mt -117.5 14.11 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 12.8 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.576 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.3 m-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.971 0.415 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 64.7 tttt -53.25 134.84 39.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.2 mm -64.68 112.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.529 ' CE1' ' HE2' ' A' ' 18' ' ' LYS . 34.2 m-85 -120.93 147.68 46.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.72 137.65 36.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.917 ' CE2' HD21 ' A' ' 26' ' ' LEU . 42.4 t80 -45.31 -47.45 13.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.8 pt-20 -41.85 -66.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.933 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.65 64.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.45 10.3 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 22' ' ' TYR . 41.9 mt -72.08 171.27 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.849 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.4 tmt_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' ARG . 19.5 mt -35.44 128.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.3 Cg_endo -69.75 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.284 . . . . 0.0 112.366 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -100.93 10.96 40.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.78 18.4 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.88 157.71 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -109.78 108.34 18.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -16.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -102.31 -21.1 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -124.45 26.82 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ASP . 78.2 mt -52.88 -39.31 62.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -62.34 -35.13 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -63.93 -20.81 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.8 m-70 -78.01 -4.05 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.6 mt -93.19 128.78 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 93.5 p -61.46 138.61 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -39.07 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 22.1 mt-10 -74.35 -47.84 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.1 mm-40 -81.51 -53.64 6.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.624 ' CE2' HD12 ' A' ' 61' ' ' ILE . 18.6 t80 -37.38 -33.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.85 -39.47 19.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 18.7 mt-30 -64.97 -16.15 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.0 t -97.75 -57.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.1 m-85 -81.59 -33.14 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.06 23.05 15.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -163.61 174.48 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 67.1 p -94.83 140.96 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.7 tp -38.55 -39.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 12.2 t -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 32.8 mt-10 -78.55 -34.86 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -46.5 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.64 -16.95 62.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -91.21 5.14 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.5 mt -87.49 177.91 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.42 140.25 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.37 -50.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.1 p-90 -59.2 -39.89 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 24.0 tptt -68.92 -45.2 71.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.36 -28.47 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -95.51 -18.85 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.24 -43.32 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.09 -54.46 45.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.2 mtpt -51.27 -37.53 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.4 -34.2 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.73 -18.7 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.3 10.89 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.849 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.2 mtt85 55.5 31.24 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.2 mt -116.5 14.67 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 6.8 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 10.5 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.95 0.405 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 22.4 tttp -58.8 146.99 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -72.5 107.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 25' ' ' LEU . 48.2 m-85 -118.44 147.5 42.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.725 0.774 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 140.35 42.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.886 ' CE1' HD21 ' A' ' 26' ' ' LEU . 39.6 t80 -47.57 -46.76 28.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -42.3 -67.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.41 -21.77 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.659 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.5 mt -82.34 10.59 6.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.886 HD21 ' CE1' ' A' ' 22' ' ' TYR . 33.0 mt -72.17 168.71 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.847 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.31 129.6 2.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.817 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.74 -173.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -102.87 12.77 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -125.88 17.81 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.742 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.78 160.52 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -110.58 105.05 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -18.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 69.5 p -101.49 -21.4 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.79 26.1 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.3 mt -52.56 -39.88 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -61.39 -32.38 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -68.4 -14.58 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -85.19 -1.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.9 mt -95.15 128.5 42.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' GLU . 7.9 p -63.05 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.3 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.9 mt-10 -71.94 -51.65 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -80.94 -53.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.6 t80 -36.8 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 7.7 t80 -85.42 -40.06 16.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -65.01 -16.54 63.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 22' ' ' TYR . 52.4 t -97.49 -55.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.0 m-85 -83.8 -35.14 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 25.62 10.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.572 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.84 178.4 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 61.3 p -97.65 140.28 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.6 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -39.48 -38.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -58.07 -42.06 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.0 mm-40 -78.72 -35.67 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.68 -48.45 81.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.97 -12.25 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -93.6 3.57 55.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.2 mt -86.58 177.12 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.96 140.08 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -36.16 -51.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 46.6 p-90 -58.85 -39.79 82.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ2' HD21 ' A' ' 75' ' ' LEU . 14.3 tptp -69.25 -46.71 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -63.35 -28.51 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.2 m-80 -94.71 -19.41 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.05 -43.59 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.676 HD21 ' HZ2' ' A' ' 71' ' ' LYS . 72.1 mt -61.2 -54.64 41.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.0 mtpt -51.08 -39.63 56.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -60.43 -34.03 73.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -83.61 -25.49 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.06 12.07 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.847 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 53.88 32.52 15.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.0 mt -116.18 13.0 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 5.0 t80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.8 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.962 0.41 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 10.0 ttmm -62.19 148.67 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -73.11 114.73 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.533 ' HB3' HD11 ' A' ' 24' ' ' LEU . 50.2 m-85 -125.81 148.13 61.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.721 0.772 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.79 138.17 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.869 ' CE2' HD21 ' A' ' 26' ' ' LEU . 59.9 t80 -44.26 -49.47 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -39.76 -70.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.915 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.56 -22.36 66.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.2 mt -82.16 10.82 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD21 ' CE2' ' A' ' 22' ' ' TYR . 27.3 mt -72.98 170.07 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.809 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.48 131.19 1.05 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.845 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.4 Cg_endo -69.74 -171.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.746 2.298 . . . . 0.0 112.345 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -104.05 12.35 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -125.67 18.23 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.736 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.11 158.33 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.27 107.16 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.61 -16.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 34.7 p -102.38 -20.46 14.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -127.64 29.11 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 75.6 mt -53.84 -42.26 68.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 23.1 pm0 -60.33 -29.71 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 19.0 mtt85 -70.08 -13.32 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 68.5 m-70 -85.9 -8.05 58.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.1 mt -86.67 132.29 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.5 p -66.3 138.73 57.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -39.42 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.0 mm-40 -72.59 -47.35 48.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' GLN . 13.5 mt-10 -85.83 -53.45 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.57 -32.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.6 t80 -83.01 -40.75 19.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.1 mt-30 -64.89 -17.07 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.7 t -96.46 -56.81 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 81' ' ' LEU . 72.0 m-85 -82.34 -34.53 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 24.61 10.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.52 176.24 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.8 p -96.17 139.73 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.523 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.3 -39.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.5 t -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' THR . 30.8 mt-10 -78.23 -34.96 48.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.35 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -19.57 50.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -88.53 2.74 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.1 mt -84.23 177.29 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.07 139.82 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.43 -49.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.2 p-90 -59.66 -39.93 86.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.6 tptt -68.85 -45.08 72.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.56 -28.16 69.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -96.7 -17.33 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 19.2 tt0 -85.5 -42.03 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.78 -55.3 31.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 52.0 mtpt -49.69 -39.19 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.56 -34.02 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -83.61 -20.71 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.9 9.12 44.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.809 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.2 mtt180 57.31 31.84 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.4 mt -117.14 14.44 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 10.0 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 23.5 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.952 0.406 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -51.67 141.7 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -69.39 109.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 25' ' ' LEU . 39.3 m-85 -119.29 147.55 43.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.661 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.878 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.5 t80 -51.29 -44.84 61.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -44.26 -65.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.38 -22.05 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 15.5 mt -82.45 10.55 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.878 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.0 mt -71.21 168.6 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.8 tmt_? . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.59 128.79 75.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.592 0.711 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.832 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.356 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -100.87 14.42 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -126.89 16.19 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -102.23 155.72 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.4 t0 -108.79 108.7 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -15.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -101.84 -23.68 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -124.49 29.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 72.8 mt -53.69 -39.79 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 25.1 pm0 -62.9 -31.72 72.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 24.4 mtt85 -67.78 -16.04 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 71.2 m-70 -83.0 -5.62 59.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -89.31 130.77 35.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -62.02 137.04 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -38.74 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.7 mt-10 -75.79 -45.22 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.5 mt-10 -83.03 -52.41 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 61' ' ' ILE . 19.4 t80 -38.92 -33.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.54 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.39 -38.97 21.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.1 mt-30 -65.4 -16.03 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.97 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.63 ' CE1' HD12 ' A' ' 81' ' ' LEU . 76.8 m-85 -81.71 -32.73 31.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.43 23.89 15.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -164.72 173.31 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.0 p -93.43 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.4 tp -38.79 -39.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.7 t -57.19 -42.39 81.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.6 mm-40 -78.92 -34.53 44.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -13.17 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -92.84 3.69 55.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.1 mt -87.7 177.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.88 140.11 34.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.23 -50.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -59.33 -39.81 84.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.515 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.8 tptt -69.14 -45.5 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -63.96 -28.85 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.83 -18.79 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -84.09 -42.98 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.44 -54.09 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.8 mtpt -51.29 -40.49 59.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.77 -35.52 76.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.8 -19.39 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 14.3 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.827 ' C ' HG12 ' A' ' 27' ' ' VAL . 2.6 mtt-85 51.79 32.56 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.63 HD12 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -115.64 12.08 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 7.9 t80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 19.5 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.987 0.422 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 53.8 tttt -53.25 135.76 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.21 109.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB3' HD11 ' A' ' 24' ' ' LEU . 45.0 m-85 -119.22 146.95 41.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.677 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 141.43 45.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.91 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.3 t80 -48.03 -47.46 33.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -41.58 -68.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.07 10.35 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.1 mt -73.03 170.28 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.8 HG12 ' C ' ' A' ' 80' ' ' ARG . 8.7 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.795 0.331 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.44 130.94 93.71 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 52.8 Cg_endo -69.82 -173.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -102.28 13.12 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -125.83 16.98 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.14 154.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.13 106.16 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.544 HH21 HG23 ' A' ' 27' ' ' VAL . 44.8 mmm-85 -49.51 -18.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 59.5 p -99.05 -22.71 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -125.83 31.44 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 81' ' ' LEU . 98.3 mt -56.54 -43.82 80.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.66 -32.96 65.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.07 -23.14 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.4 m-70 -77.48 -3.59 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -93.9 129.0 40.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.6 p -61.93 138.48 58.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -38.94 -25.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.3 mm-40 -74.42 -47.97 30.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -81.45 -53.74 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.535 ' CE2' HD12 ' A' ' 61' ' ' ILE . 32.2 t80 -37.04 -33.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.6 t80 -82.85 -40.45 20.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.3 mt-30 -64.14 -16.22 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.95 -57.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.7 m-85 -81.41 -33.84 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.92 24.59 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.562 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.3 ptp -165.97 177.65 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLU . 58.8 p -97.48 141.09 30.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -38.61 -38.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 m -56.68 -43.33 80.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' THR . 12.1 mm-40 -78.48 -35.15 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 64.3 t80 -60.72 -50.01 75.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.4 -15.13 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 11.5 mtp-105 -90.19 2.72 55.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 71' ' ' LYS . 83.9 mt -86.42 177.3 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -88.14 141.56 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 19.8 tp -35.5 -53.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -55.55 -40.93 72.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' NZ ' HD21 ' A' ' 75' ' ' LEU . 14.0 tptp -69.46 -48.68 60.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 66.7 mtm180 -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.1 m-20 -93.25 -16.75 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 15.6 tt0 -85.04 -44.65 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.61 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 67.6 mt -59.38 -52.83 63.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.2 mtpt -51.09 -42.56 60.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -59.72 -33.35 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -83.82 -27.73 28.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.25 12.14 21.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.8 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.0 mtt180 54.32 34.58 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.6 mt -117.62 13.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.5 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.982 0.42 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.8 tttp -59.67 139.56 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.6 110.46 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.433 ' HB2' HD21 ' A' ' 25' ' ' LEU . 38.6 m-85 -122.19 147.75 50.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.707 0.765 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.655 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.77 141.11 44.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.414 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 47.2 t80 -48.96 -45.96 42.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -43.03 -66.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.26 -21.68 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.47 10.26 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 42.9 mt -71.82 168.76 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.7 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.86 129.35 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.802 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.0 Cg_endo -69.81 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.15 11.46 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.79 18.96 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.732 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -102.95 158.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -110.22 104.39 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -50.07 -17.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.5 p -98.99 -22.95 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -128.23 33.16 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.1 mt -55.31 -39.93 70.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 12.6 pt-20 -60.61 -34.21 73.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -63.88 -19.05 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.5 m-70 -81.02 -3.71 52.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -91.89 126.04 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' GLU . 62.6 p -62.8 140.67 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -39.28 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.8 mt-10 -71.7 -51.89 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLN . 9.5 mt-10 -82.26 -53.59 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.665 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.3 t80 -35.95 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -85.76 -40.99 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.4 mt-30 -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.07 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.5 m-85 -81.01 -34.24 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.42 24.49 11.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.2 ptp -166.15 175.2 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.6 p -94.09 142.22 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -41.18 -33.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.5 t -62.22 -41.15 98.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.7 mm-40 -80.12 -33.55 38.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.7 t80 -61.38 -45.05 95.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.89 -16.5 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -91.12 3.12 55.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.3 mt -86.42 176.36 7.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.46 141.72 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.6 tp -38.18 -53.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.6 p-90 -55.16 -41.03 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.2 tptt -68.27 -48.12 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -63.85 -29.51 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.6 m-20 -94.72 -15.27 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 4.5 tp10 -88.41 -43.93 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.12 -55.43 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -49.42 -39.84 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 58.6 mttt -60.12 -33.83 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -84.82 -20.7 30.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.51 10.45 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.713 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.9 mtt85 56.43 32.02 19.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.1 mt -117.75 15.67 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 28.5 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 18.3 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.955 0.407 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.09 155.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 19' ' ' ILE . 13.9 mm -83.16 106.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.47 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.9 m-85 -117.15 147.63 40.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.67 140.92 44.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -48.17 -46.58 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -42.5 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.65 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.1 mt -82.53 10.83 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.5 mt -72.95 167.54 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.906 0.384 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.55 128.4 91.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.804 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.81 -172.9 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -102.94 10.5 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -123.68 19.17 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.1 156.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -108.04 107.24 17.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -16.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -19.76 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -127.73 28.05 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.6 mt -52.13 -38.24 56.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 18.8 pt-20 -62.55 -35.43 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -63.86 -18.26 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.9 m-70 -81.74 -3.26 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.2 mt -92.68 126.32 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' GLU . 77.7 p -60.73 138.95 58.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -39.67 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' SER . 24.8 mm-40 -74.71 -45.79 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.1 mm-40 -84.82 -53.27 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.655 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.5 t80 -37.44 -30.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.512 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.2 t80 -85.93 -39.92 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.5 mt-30 -64.46 -16.56 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.0 t -97.24 -57.46 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.4 m-85 -81.66 -34.32 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.64 22.28 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.605 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -162.52 176.52 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -96.49 141.04 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.24 -38.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t -57.28 -42.55 81.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 24.4 mt-10 -79.07 -35.19 42.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.606 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 61.0 t80 -61.02 -49.76 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -19.15 49.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -88.7 4.16 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD11 ' SD ' ' A' ' 59' ' ' MET . 91.0 mt -86.77 176.31 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.69 141.53 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.77 -53.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.8 p-90 -54.95 -40.65 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -68.77 -48.37 63.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 55.7 mtm180 -63.59 -29.65 70.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.1 m-20 -94.36 -15.15 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 8.0 tp10 -88.43 -44.17 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.63 -52.87 63.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 47.5 mtpt -51.36 -39.23 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -61.46 -33.61 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -84.41 -20.35 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.89 9.95 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.832 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.8 mtt180 56.19 32.37 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.1 mt -116.73 9.69 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.6 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.94 0.4 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.7 tttp -56.83 137.5 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.4 mm -65.17 110.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.566 ' HB2' HD21 ' A' ' 25' ' ' LEU . 47.5 m-85 -121.96 147.83 49.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.76 140.16 41.99 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.902 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -46.19 -48.89 17.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -40.69 -69.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.97 -22.4 66.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.47 8.23 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.1 mt -70.43 169.69 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.719 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 1.4 tmt_? . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.2 131.58 80.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.28 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -102.89 11.96 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.26 18.67 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.728 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.06 156.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.68 106.43 16.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -17.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.424 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 80.8 p -102.57 -22.26 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -124.25 26.22 7.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.9 mt -50.1 -39.72 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 9.2 pt-20 -62.32 -33.13 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 66.8 mtt180 -65.9 -15.19 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.4 m-70 -85.04 -4.22 59.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 22' ' ' TYR . 18.5 mt -91.24 127.34 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 28.3 p -63.86 140.36 58.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -39.0 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mm-40 -70.9 -50.33 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.4 mt-10 -83.98 -53.77 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 61' ' ' ILE . 35.9 t80 -36.7 -32.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 5.9 t80 -84.48 -40.44 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.1 mt-30 -64.31 -16.11 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 22' ' ' TYR . 59.9 t -98.1 -56.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 83.3 m-85 -82.39 -34.45 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 23.53 12.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.627 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -163.92 178.11 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 35.9 p -97.68 141.73 30.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.597 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -40.17 -37.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -58.55 -41.71 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' THR . 27.5 mm-40 -80.41 -34.98 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 60.8 t80 -60.5 -48.67 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -17.91 57.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.98 4.74 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.627 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.1 mt -88.12 176.89 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.29 141.56 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 21.0 tp -37.87 -53.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.581 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.4 p-90 -55.08 -41.25 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.2 tptt -68.24 -47.74 66.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -64.07 -29.79 70.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.457 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.9 m-20 -94.01 -15.35 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 16.9 tt0 -86.75 -43.38 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.92 -53.11 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.2 mtpt -50.41 -41.44 52.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 82' ' ' PHE . 82.2 mttt -59.63 -34.87 73.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.13 -19.68 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.49 11.57 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.719 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.3 mtp85 55.05 32.52 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.6 mt -117.77 14.51 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.594 ' CE2' ' HE2' ' A' ' 77' ' ' LYS . 76.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 24.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.977 0.417 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 37.0 tttp -54.91 142.36 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.78 109.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.2 m-85 -121.2 147.26 46.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.687 0.756 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.71 141.22 44.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.286 . . . . 0.0 112.381 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.933 ' CE2' HD21 ' A' ' 26' ' ' LEU . 43.8 t80 -47.71 -48.34 29.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -41.17 -69.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.81 -21.92 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.8 mt -82.5 11.06 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 22' ' ' TYR . 31.9 mt -74.73 168.61 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.752 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.441 HD13 ' NE ' ' A' ' 41' ' ' ARG . 15.5 mt -63.32 130.07 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.749 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -101.9 10.73 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -122.73 17.14 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.743 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.1 m -103.56 151.27 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -105.71 109.48 21.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' NE ' HD13 ' A' ' 35' ' ' LEU . 14.8 mmt-85 -51.54 -16.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 40.0 p -102.5 -18.2 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -125.84 25.7 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ASP . 88.9 mt -53.19 -42.58 66.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE1' ' CE2' ' A' ' 64' ' ' PHE . 16.8 pt-20 -57.59 -34.49 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -65.43 -22.35 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 78.8 m-70 -79.0 -3.09 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.6 mt -93.73 129.45 40.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLU . 31.3 p -63.31 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -38.94 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.8 mm-40 -75.74 -46.18 32.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.4 mm-40 -82.98 -53.22 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 61' ' ' ILE . 27.3 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.9 t80 -83.86 -40.2 18.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 19.0 mt-30 -64.73 -16.26 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG11 ' CD1' ' A' ' 22' ' ' TYR . 58.5 t -97.6 -56.72 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.6 m-85 -82.76 -34.31 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.41 24.54 11.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.568 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.55 178.17 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 63' ' ' GLU . 30.2 p -97.55 142.08 29.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.2 tp -41.5 -34.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 m -61.29 -40.76 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' THR . 40.7 mt-10 -81.58 -34.49 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CE2' ' OE1' ' A' ' 45' ' ' GLU . 69.4 t80 -59.5 -47.9 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -16.72 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.17 2.39 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.428 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.5 mt -84.8 177.03 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.88 139.07 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -35.55 -51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.483 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.3 p-90 -59.14 -41.22 87.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ALA . 22.6 tptp -67.86 -45.86 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' HD22 ' A' ' 69' ' ' LEU . 36.9 m-80 -95.35 -19.04 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -82.69 -43.24 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.483 HD11 ' HZ2' ' A' ' 71' ' ' LYS . 88.4 mt -60.69 -54.95 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.8 mtpt -49.29 -39.68 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 79.8 mttt -62.13 -34.07 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.35 -18.35 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.09 10.9 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.752 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.3 mtt85 56.24 32.06 19.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.7 mt -117.4 13.68 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 13.9 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 16.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 17.1 ttmt -56.03 143.61 31.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.401 HG23 ' OG ' ' A' ' 49' ' ' SER . 20.1 mm -69.67 108.58 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 47.5 m-85 -117.99 147.33 41.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.746 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.76 138.78 38.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 40.1 t80 -46.12 -47.72 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.563 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.6 pt-20 -41.35 -67.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.72 -21.6 65.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.53 10.64 6.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 34.0 mt -72.7 169.13 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.751 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.3 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.54 125.03 6.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.833 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.8 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 9.33 43.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.6 18.32 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.76 157.12 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.9 m-20 -108.14 107.15 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -51.31 -16.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 p -101.41 -22.15 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -125.08 28.67 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' ASP . 81.0 mt -52.88 -41.96 64.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -60.36 -30.28 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -69.62 -14.59 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 69.8 m-70 -85.01 -4.19 59.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -90.72 132.76 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -63.83 136.92 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -38.98 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.9 mt-10 -75.2 -45.7 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.7 mm-40 -83.03 -53.63 5.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.7 t80 -37.62 -32.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.09 -39.53 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.1 mt-30 -65.24 -16.12 63.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.94 -57.09 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.5 m-85 -81.39 -33.04 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.84 24.25 13.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.638 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.4 ptp -165.52 173.3 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 72.6 p -93.69 141.97 27.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 tp -39.05 -39.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 7.9 m -57.02 -42.36 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 33.1 mt-10 -79.09 -34.6 43.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.95 -51.54 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.72 -12.31 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -93.16 2.29 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.638 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.8 mt -86.48 178.31 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.02 139.3 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 tm? -36.66 -53.66 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.5 p-90 -56.39 -40.81 75.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.5 tptt -67.69 -47.23 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.25 -29.5 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -93.17 -19.65 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -82.99 -43.44 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.46 -55.91 28.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -50.22 -41.39 49.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 75.0 mttt -59.3 -35.72 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.65 -19.81 40.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.19 9.61 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.751 ' C ' HG12 ' A' ' 27' ' ' VAL . 4.6 mtt180 57.07 31.97 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.26 15.23 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 14.7 t80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.1 p -74.89 126.23 30.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -72.03 165.35 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.4 137.2 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -88.0 152.24 22.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -146.37 146.15 30.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 164.36 -39.87 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 7' ' ' GLY . 43.1 m-80 -34.49 -58.61 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.03 -176.54 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 23.0 m -67.02 -17.86 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 41.32 26.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 20.5 m95 -49.14 178.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.84 -41.19 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.478 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.5 pmm? -66.8 -41.58 87.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 14' ' ' MET . 12.5 mtt180 -157.23 177.16 11.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -109.13 99.66 8.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.5 m-85 -100.26 103.32 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 41.9 tttt -57.89 150.53 20.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mm -76.19 108.51 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.541 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.47 147.42 45.33 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.1 Cg_endo -69.8 140.64 43.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.246 . . . . 0.0 112.312 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 53.2 t80 -46.85 -48.33 21.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -40.96 -69.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.3 mt -82.14 10.35 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.957 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.6 mt -72.72 169.47 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.851 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.9 p -132.2 39.35 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.0 p -60.21 113.13 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 89.0 m -39.29 -62.02 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.125 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.81 30.56 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -92.84 15.19 63.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.79 53.89 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.05 153.57 8.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.37 34.25 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.539 HD13 ' NE ' ' A' ' 41' ' ' ARG . 16.4 mt -62.39 130.02 92.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.83 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.8 -173.94 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -101.38 12.13 37.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -124.13 16.53 9.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.4 m -104.0 153.3 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.0 t0 -106.18 109.94 22.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' NE ' HD13 ' A' ' 35' ' ' LEU . 25.9 mmt-85 -53.01 -14.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 36.7 p -102.04 -23.36 14.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -125.83 30.71 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.5 mt -54.46 -39.16 67.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 5.9 pm0 -61.45 -35.09 76.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 69.6 mtt180 -63.62 -17.98 63.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.3 m-70 -82.53 -3.74 56.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.7 mt -91.54 130.65 37.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.0 p -62.96 139.47 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -40.28 -25.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.7 mm-40 -74.85 -47.79 28.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 mm-40 -82.18 -53.35 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.6 t80 -37.7 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -86.25 -40.16 15.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.8 mt-30 -64.38 -16.34 62.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.2 t -97.73 -57.87 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.621 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.81 -33.87 34.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.52 24.6 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.708 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.91 175.72 9.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 69.0 p -95.52 140.65 30.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.531 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -38.85 -39.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.418 ' N ' HG23 ' A' ' 61' ' ' ILE . 42.3 t -56.8 -42.47 79.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.9 mm-40 -78.76 -35.4 44.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -59.77 -45.42 92.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.02 -16.86 63.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.4 mtp180 -90.49 1.44 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.4 mt -84.84 175.92 8.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.78 141.5 32.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.5 tp -37.91 -53.48 1.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -55.29 -40.73 71.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 23.8 tptt -68.54 -47.76 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -64.16 -29.08 70.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.8 m-20 -95.28 -15.87 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 18.9 tt0 -86.42 -43.97 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.19 -54.59 44.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 49.9 mtpt -49.07 -41.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 78.5 mttt -60.48 -33.67 72.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -83.91 -22.24 31.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.84 6.89 47.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.851 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.2 mtt180 59.61 32.17 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.621 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.3 mt -117.39 14.49 14.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.483 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.0 t80 -117.73 144.26 45.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.482 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 21.3 t -119.68 -47.59 2.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.73 144.41 5.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.16 56.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.8 t -39.83 117.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.3 t -79.42 -48.93 13.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 p -154.02 116.79 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.369 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -109.79 109.38 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.09 -163.92 12.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -74.57 150.88 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 t -85.3 138.83 32.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 161.63 -90.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 60.5 m-80 -35.18 -50.32 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -171.77 147.57 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 35.0 m -36.21 135.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.34 28.96 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 40.1 m95 -69.9 121.32 17.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.3 -36.47 39.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -57.6 -45.0 85.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -151.21 177.2 10.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -121.26 102.45 8.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.7 m-85 -98.07 102.37 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.519 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 28.6 tttp -55.69 133.49 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.7 mm -61.91 110.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 43.1 m-85 -121.59 147.46 47.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 142.5 47.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.232 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.894 ' CE1' HD21 ' A' ' 26' ' ' LEU . 33.3 t80 -50.18 -45.43 53.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -43.5 -65.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.17 -21.58 63.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.8 mt -82.48 10.31 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.894 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.9 mt -71.92 167.42 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.773 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p -131.88 37.02 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 28' ' ' THR . 11.7 p -54.48 120.68 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.6 m -57.26 -57.7 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.6 ptt-85 -91.72 -35.44 14.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.31 159.19 3.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -84.2 80.31 9.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.96 149.01 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -117.92 39.37 3.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -68.08 127.56 93.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.816 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.78 -173.36 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.713 2.275 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -102.0 11.55 38.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -124.05 17.48 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.41 154.22 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.128 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.7 m-20 -107.43 107.81 18.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.11 -17.47 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.3 p -101.87 -21.82 14.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -122.92 25.89 8.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.8 mt -52.04 -43.03 63.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' CD ' ' HD2' ' A' ' 76' ' ' LYS . 16.8 pt-20 -59.24 -33.81 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -65.57 -20.64 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 75.3 m-70 -79.54 -2.48 42.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.8 mt -93.53 128.77 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 90.5 p -62.23 138.8 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -39.86 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 10.3 mt-10 -75.07 -46.21 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.2 mm-40 -83.52 -53.8 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.1 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.62 -40.03 17.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-30 -64.49 -16.38 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG11 ' CE2' ' A' ' 22' ' ' TYR . 58.7 t -97.92 -57.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -81.5 -33.6 31.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.77 23.25 13.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.46 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -164.55 175.08 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.0 p -94.93 141.79 28.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.18 -39.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.402 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 30.4 t -57.22 -42.43 81.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 29.5 mt-10 -78.73 -34.95 45.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.8 t80 -60.64 -48.43 81.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -61.75 -16.77 52.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -90.43 3.55 53.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.649 HD11 ' SD ' ' A' ' 59' ' ' MET . 85.0 mt -86.14 178.01 7.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -85.25 140.24 31.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.521 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -37.37 -48.97 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.57 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.5 p-90 -60.2 -40.26 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.7 tptt -69.26 -44.8 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.5 mtm180 -65.06 -28.22 69.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' ND2' HD22 ' A' ' 69' ' ' LEU . 32.7 m-80 -95.62 -18.48 20.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -84.19 -43.0 15.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.23 -53.09 60.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.6 mtpt -50.73 -40.63 55.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 68.8 mttt -61.24 -35.09 76.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -81.83 -18.26 44.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.25 11.47 38.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.773 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.1 mtp85 55.06 31.99 17.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.8 mt -116.99 13.22 14.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.468 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 4.7 t80 -116.66 138.29 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.8 t -129.31 -40.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.27 136.01 8.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 158.8 55.64 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.1 p -142.1 131.02 23.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.1 p -96.67 125.49 41.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.514 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 p -121.65 148.41 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.367 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -68.15 -54.66 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.7 -73.61 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.3 t -113.44 -59.95 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.855 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -75.0 117.76 17.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.71 102.74 2.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -74.76 -45.92 40.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.95 147.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 27.3 m -33.73 135.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -85.64 31.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.461 ' NE1' ' HD3' ' A' ' 46' ' ' ARG . 37.3 m95 -69.16 -175.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.28 -49.12 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -46.81 -41.46 15.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.789 0.328 . . . . 0.0 110.909 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.469 ' N ' ' HG2' ' A' ' 14' ' ' MET . 2.2 mmt-85 -157.04 178.31 10.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -110.79 90.24 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.8 m-85 -83.84 103.89 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 42.3 tttt -59.46 145.43 43.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.3 mm -71.28 108.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 49.4 m-85 -121.17 148.41 49.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.68 0.752 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.656 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.78 146.45 60.12 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.875 ' CE1' HD21 ' A' ' 26' ' ' LEU . 32.2 t80 -55.35 -41.89 73.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -46.64 -63.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.73 -21.59 62.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 24' ' ' LEU . 20.1 mt -83.27 11.26 6.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.875 HD21 ' CE1' ' A' ' 22' ' ' TYR . 41.3 mt -71.67 168.43 17.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.785 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.3 p -134.83 4.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.54 119.42 4.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -58.02 -64.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -70.42 -0.16 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.67 -171.29 34.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -96.46 97.98 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -94.74 97.6 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -99.29 29.13 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD22 HG21 ' A' ' 39' ' ' VAL . 15.3 mt -52.83 131.05 48.06 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.725 ' HG2' HG13 ' A' ' 39' ' ' VAL . 53.5 Cg_endo -69.78 -174.64 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.375 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -100.3 10.17 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -122.45 17.95 10.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.67 156.25 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.19 107.84 18.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -51.33 -16.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.5 HG21 ' HB3' ' A' ' 85' ' ' PRO . 42.6 p -102.08 -19.92 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.178 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -127.28 28.31 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.4 mt -53.51 -38.92 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -61.08 -34.42 74.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HD3' ' NE1' ' A' ' 12' ' ' TRP . 41.9 mtt180 -64.45 -18.68 64.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -82.05 -3.59 54.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.2 mt -91.91 128.96 37.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' GLU . 46.1 p -61.21 139.75 58.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -40.89 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mt-10 -75.56 -47.57 26.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.0 mm-40 -82.38 -53.19 6.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.6 t80 -37.5 -31.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.9 t80 -85.36 -39.79 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 52' ' ' GLU . 21.4 mt-30 -64.5 -15.79 61.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 22' ' ' TYR . 59.9 t -98.96 -57.79 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.598 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.8 m-85 -80.87 -32.74 34.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.25 23.94 15.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.697 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.64 176.26 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 63' ' ' GLU . 56.3 p -96.96 141.9 29.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.3 tp -39.37 -38.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 20.3 t -57.11 -42.34 80.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' THR . 82.7 mt-10 -79.68 -34.99 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.88 -50.78 72.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -18.87 50.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.7 mtt-85 -88.83 2.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.697 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.6 mt -84.92 178.39 7.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.92 139.78 32.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.5 tm? -37.87 -49.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 51.3 p-90 -59.76 -40.39 88.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.1 tptt -68.69 -45.01 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.3 mtm180 -64.57 -28.26 69.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.7 m-80 -95.69 -18.76 20.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -83.74 -42.99 15.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.43 -54.13 49.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 51.1 mtpt -50.84 -39.83 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -61.26 -33.97 74.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.31 -19.74 33.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -99.5 10.42 41.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.785 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.1 mtt180 55.91 32.69 20.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.5 mt -117.58 11.62 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 10.3 t80 -112.5 143.61 43.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.9 t -122.37 -46.74 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 108.74 92.7 2.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.5 ' HB3' HG21 ' A' ' 42' ' ' THR . 53.6 Cg_endo -69.84 172.01 13.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 77.2 p -130.41 179.28 6.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.9 m -106.64 -46.74 3.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 t -92.41 147.01 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -127.99 136.11 50.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.28 60.29 0.68 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -98.03 82.83 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -119.87 128.58 53.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.64 -170.06 13.97 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 8' ' ' ASN . 10.2 p-10 -74.0 90.94 2.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -168.95 141.96 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 27.1 m -34.95 131.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.159 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -100.21 26.1 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -44.15 -65.26 0.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.95 -65.09 0.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -44.23 -51.73 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -134.11 -177.98 4.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -123.39 91.46 3.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 11.4 m-85 -90.42 104.88 17.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 61.7 tttt -63.03 132.66 52.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.01 111.19 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.3 m-85 -122.88 148.76 54.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.703 0.763 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.79 142.65 48.37 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.38 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.907 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.0 t80 -50.24 -46.0 54.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -43.07 -66.2 0.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.926 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.98 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.1 mt -82.21 9.73 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.907 HD21 ' CE1' ' A' ' 22' ' ' TYR . 36.6 mt -71.07 169.86 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.769 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p -133.34 35.77 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.0 p -51.98 120.18 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 58.3 m -69.25 -57.02 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -112.81 37.54 3.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' NH1' ' A' ' 32' ' ' ARG . . . -120.27 -124.0 3.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' NH1' ' O ' ' A' ' 31' ' ' GLY . 16.5 mmt-85 -146.78 106.86 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -120.24 140.95 50.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.16 33.54 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.6 mt -48.75 128.96 14.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.812 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.3 Cg_endo -69.73 -174.63 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 11.27 39.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -123.76 17.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -103.5 155.04 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.3 t0 -107.43 108.74 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.78 -14.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 85' ' ' PRO . 33.9 p -102.39 -24.21 13.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -123.7 28.78 6.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' ASP . 69.7 mt -51.81 -39.56 58.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 13.2 pt-20 -61.84 -34.56 76.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -64.32 -17.63 63.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 74.8 m-70 -82.76 -0.41 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.9 mt -95.36 122.99 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.8 p -59.67 140.42 56.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -39.2 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.3 mt-10 -72.29 -50.81 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -81.95 -53.52 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.28 -33.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.36 -40.56 17.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.7 mt-30 -64.51 -16.45 62.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG11 ' CD2' ' A' ' 22' ' ' TYR . 57.7 t -97.29 -57.37 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.183 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.8 m-85 -81.95 -33.91 30.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.17 24.11 11.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.737 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.1 174.52 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.2 p -93.99 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.29 -40.01 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 61' ' ' ILE . 1.9 m -57.36 -41.92 81.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' THR . 57.0 mm-40 -78.9 -34.92 44.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.42 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 68.0 t80 -59.59 -49.12 79.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -62.82 -12.95 27.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -93.81 3.9 54.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.0 mt -88.27 176.2 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.99 141.21 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.38 -53.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.8 p-90 -55.57 -41.2 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.579 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.6 tptt -67.98 -47.62 68.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -64.59 -29.59 70.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.453 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 93.0 m-20 -94.89 -15.2 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 3.8 tp10 -87.32 -43.38 12.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.6 -54.02 50.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.6 mtpt -50.21 -37.47 35.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -63.0 -33.66 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -85.1 -18.13 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.24 10.08 41.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.769 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.5 mtt85 56.55 30.12 16.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.4 mt -116.39 14.68 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 11.8 t80 -113.22 129.16 56.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.3 t -131.11 26.87 4.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 72.39 95.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.594 ' HA ' HG22 ' A' ' 42' ' ' THR . 53.9 Cg_endo -69.74 2.56 3.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.379 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 m -96.14 125.35 40.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -104.86 154.48 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -82.03 175.87 10.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 p -65.9 -59.53 3.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.5 91.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 80.2 p -159.17 174.33 15.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 53.4 p -36.68 110.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.08 -78.68 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 m120 59.33 39.78 21.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -162.76 168.24 21.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.557 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 28.2 m -58.17 -18.46 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 10' ' ' VAL . 68.4 m-80 34.32 33.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 29.6 m95 -48.13 136.28 12.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.72 -50.45 31.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -59.88 -72.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.739 0.304 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -129.01 -177.71 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -115.96 98.99 6.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.1 m-85 -92.36 102.31 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.944 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -50.74 152.0 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 19' ' ' ILE . 23.9 mm -78.21 108.77 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' HD21 ' A' ' 25' ' ' LEU . 40.7 m-85 -119.07 147.42 42.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.637 0.732 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.8 142.43 47.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.863 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.8 t80 -50.15 -45.32 53.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.593 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -43.52 -65.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.919 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.5 -21.54 63.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.6 mt -82.79 10.37 7.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.863 HD21 ' CE2' ' A' ' 22' ' ' TYR . 33.3 mt -71.25 169.81 14.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.738 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.7 p -132.7 -3.15 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.95 101.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 m -40.92 -65.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -84.63 37.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 33' ' ' ASN . . . -127.02 141.67 12.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.83 76.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.841 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -87.3 140.47 29.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -120.18 39.74 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -56.95 128.61 77.37 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.826 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.77 -172.47 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.364 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -103.41 11.11 36.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -124.51 19.01 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.25 153.77 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.42 107.72 18.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -51.4 -16.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.0 p -102.59 -21.07 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -124.93 26.72 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ASP . 73.1 mt -52.39 -39.38 60.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.0 pt-20 -61.13 -33.85 74.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -65.33 -18.83 65.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 73.5 m-70 -81.1 -3.08 50.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.7 mt -94.11 125.23 38.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.28 148.97 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -51.21 -17.24 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -82.51 -39.2 22.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 4.1 mt-10 -91.88 -52.8 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.2 t80 -37.75 -29.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -86.44 -39.89 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.6 mt-30 -64.32 -16.06 61.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.9 t -98.39 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.606 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.8 m-85 -81.31 -33.74 32.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.84 22.29 16.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.743 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.6 ptp -162.68 175.69 11.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.364 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 33.9 p -95.96 140.96 29.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.87 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' HG23 ' A' ' 61' ' ' ILE . 13.9 t -57.13 -42.68 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 25.3 mt-10 -78.86 -34.94 44.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.0 t80 -59.78 -46.92 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.81 -18.4 62.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -89.9 3.48 52.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.743 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.9 mt -85.09 176.92 8.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.06 139.79 34.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.21 -50.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.7 p-90 -58.85 -39.6 81.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.501 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.4 tptt -68.82 -45.67 70.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -64.07 -28.38 69.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -96.06 -18.93 19.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -84.39 -43.17 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.66 -55.66 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -49.85 -38.14 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -61.87 -34.01 75.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -84.32 -18.36 36.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.34 10.29 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.738 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.9 mtt180 56.1 32.14 19.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.606 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.47 14.95 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.7 t80 -115.98 140.35 49.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 t -127.1 -38.22 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 128.8 113.67 1.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 54.0 Cg_endo -69.73 140.39 42.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 67.2 m -46.35 139.05 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.3 p -66.04 145.49 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -77.18 117.65 18.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -118.73 130.01 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.32 -40.19 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 m -164.49 160.49 20.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -153.52 146.1 24.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 138.74 177.46 15.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 26.0 t-20 -35.26 113.65 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.05 -179.23 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.11 -179.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -128.32 36.57 4.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.401 ' NE1' ' HD3' ' A' ' 46' ' ' ARG . 55.4 m95 -81.0 121.95 26.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.39 -40.65 79.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -52.3 -60.78 2.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -142.37 172.96 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -110.64 107.66 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 22.5 m-85 -98.47 101.38 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -53.56 138.12 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.7 mm -65.82 111.62 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.188 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.491 ' HB2' HD21 ' A' ' 25' ' ' LEU . 43.9 m-85 -120.72 147.32 45.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.654 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.76 142.26 47.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.891 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.4 t80 -49.44 -46.82 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -42.28 -67.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.929 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.38 -22.07 64.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.0 mt -81.99 9.71 7.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.891 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.9 mt -71.28 168.56 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.82 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.9 p -131.67 33.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.8 p -53.51 111.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.0 m -51.39 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 30' ' ' ARG . 2.0 ptp180 -83.5 -37.55 22.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.61 169.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -94.99 81.57 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.07 149.18 45.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 1.5 tmt_? -119.41 36.67 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.21 129.49 83.11 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.85 -175.59 1.23 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.285 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.0 14.68 31.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -127.27 16.36 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.739 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -101.43 154.7 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m-20 -107.64 105.24 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.8 OUTLIER -50.06 -17.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.7 p -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -126.83 29.72 5.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 91.8 mt -54.1 -41.05 67.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 5.3 pm0 -59.41 -32.4 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 61.9 mtt180 -66.72 -19.71 65.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.6 m-70 -80.01 -1.79 41.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.509 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -95.7 124.87 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.8 p -60.36 139.43 57.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -38.94 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.4 mt-10 -71.32 -50.26 34.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.0 mt-10 -82.38 -53.58 5.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CE2' HD12 ' A' ' 61' ' ' ILE . 23.4 t80 -36.48 -33.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -84.18 -40.25 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 16.5 mt-30 -64.48 -16.64 62.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.8 t -97.4 -57.53 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.5 m-85 -81.27 -33.74 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 23.84 13.29 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -164.86 174.95 10.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -94.63 141.11 28.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.634 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -39.24 -39.33 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.408 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.1 t -57.39 -42.29 81.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 19.4 mm-40 -78.94 -35.04 43.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.47 -49.56 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -18.42 51.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -89.42 2.56 54.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 79.8 mt -84.31 176.72 8.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.16 139.5 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.053 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -38.37 -51.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.511 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -58.75 -39.37 80.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.3 tptt -68.98 -45.66 70.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -63.65 -28.73 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -95.3 -18.52 20.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -85.03 -43.41 13.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.15 -54.11 49.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.1 mtpt -51.45 -37.78 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -62.87 -35.01 78.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -83.13 -18.27 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.33 10.5 40.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.82 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.7 OUTLIER 55.03 32.09 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.0 mt -117.22 12.86 14.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.2 t80 -112.57 141.69 46.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.0 t -132.28 -37.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.44 131.94 7.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -175.76 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.651 2.234 . . . . 0.0 112.342 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.8 p -112.52 155.75 23.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.7 p -124.8 149.42 47.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 45.37 41.56 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -110.12 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.93 157.01 29.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 p -127.5 -49.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m 58.19 38.77 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.33 112.99 3.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -95.39 114.4 26.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 11' ' ' ASN . . . -170.92 146.39 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.59 HG23 ' H ' ' A' ' 12' ' ' TRP . 27.3 m -39.62 -25.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.178 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' ALA . 13.1 t-20 56.53 31.86 19.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.59 ' H ' HG23 ' A' ' 10' ' ' VAL . 23.6 m95 -68.93 131.17 44.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.73 -34.04 86.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.42 ' HE2' ' CE3' ' A' ' 12' ' ' TRP . 4.1 mpp? -72.53 -72.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 17' ' ' TYR . 4.0 mmp_? -114.82 -174.75 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -126.76 93.98 3.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.572 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 14.7 m-85 -96.93 102.46 14.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 70.9 tttt -56.83 142.13 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.5 mm -68.58 108.06 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 24' ' ' LEU . 44.9 m-85 -118.99 147.15 41.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.713 0.768 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.673 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 140.73 43.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.7 t80 -47.44 -47.66 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -41.46 -68.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.37 -21.81 65.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.48 10.64 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.8 mt -72.76 170.27 14.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.806 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.7 p -134.08 36.38 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.1 p -50.89 132.08 26.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 m -78.36 -68.44 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -84.83 -25.05 28.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.2 -144.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -131.91 118.71 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -107.97 148.1 30.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -119.1 40.12 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.431 HD13 ' NE ' ' A' ' 41' ' ' ARG . 19.7 mt -66.92 128.74 93.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.829 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.76 -172.45 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.37 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -103.24 14.0 32.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -127.12 17.18 7.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -102.59 157.5 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.2 t0 -110.77 109.84 20.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 7.3 mmt85 -50.84 -16.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.2 p -102.34 -21.91 14.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.18 25.72 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 40' ' ' ASP . 76.5 mt -52.55 -38.87 60.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.467 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 17.3 pt-20 -63.3 -35.81 81.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mtt85 -63.2 -19.55 64.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 80.6 m-70 -80.58 -2.42 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -94.91 129.17 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLU . 10.5 p -62.03 139.06 58.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -40.19 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.9 mt-10 -75.44 -46.83 30.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.5 mm-40 -82.96 -53.11 6.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.633 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.0 t80 -37.73 -32.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.34 -39.83 18.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.971 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -64.47 -16.25 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.7 t -97.5 -58.49 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.616 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.4 m-85 -80.64 -33.19 35.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.53 23.48 14.02 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.6 173.76 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.5 p -93.72 141.56 28.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.633 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.2 tp -38.76 -39.76 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.6 t -56.96 -42.7 80.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.4 mm-40 -78.58 -34.51 46.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.467 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 67.5 t80 -60.62 -46.69 89.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.9 -16.8 62.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -91.05 5.28 49.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.0 mt -88.31 177.04 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.04 140.42 33.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.81 -49.68 1.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.502 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.4 p-90 -59.67 -39.7 85.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 26.9 tptt -69.1 -45.04 71.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -65.03 -28.27 69.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.0 m-80 -95.83 -17.37 21.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.47 -42.56 14.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -53.89 51.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 52.6 mtpt -51.14 -41.95 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -58.86 -34.59 71.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -82.57 -25.04 33.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.84 12.13 29.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.806 ' C ' HG12 ' A' ' 27' ' ' VAL . 0.8 OUTLIER 54.07 33.77 18.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.3 mt -117.15 11.84 14.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.518 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 5.6 t80 -117.41 138.18 51.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 1.6 t -115.55 -44.78 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.518 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 109.35 93.58 2.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.29 19.32 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.34 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 m -71.82 133.69 45.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.4 m -87.3 -47.54 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 p -102.2 106.16 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 p -134.81 116.92 15.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.31 -173.19 43.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -131.8 172.31 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -127.61 137.15 52.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.05 -57.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.429 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -54.36 -47.81 72.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.3 150.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.486 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 31.2 m -33.79 141.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -95.27 39.96 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.486 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 57.3 m95 -86.9 118.29 26.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.74 -25.44 69.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.33 -47.42 79.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.3 mtt180 -150.49 173.71 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -114.81 101.77 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 13.9 m-85 -100.92 102.75 13.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 21.0 ttmt -56.8 147.64 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 19.0 mm -73.63 106.24 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 49.7 m-85 -116.71 147.55 40.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.647 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.83 141.88 46.15 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.928 ' CE2' HD21 ' A' ' 26' ' ' LEU . 37.1 t80 -50.03 -45.71 52.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -43.52 -65.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.942 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.68 -22.23 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.3 mt -82.11 10.64 6.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD21 ' CE2' ' A' ' 22' ' ' TYR . 47.1 mt -73.16 168.86 18.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.774 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.1 p -133.75 -0.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -38.46 97.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 28' ' ' THR . 3.3 m -35.55 -64.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptt180 -88.76 47.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.05 -167.04 11.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -91.48 69.99 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.493 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -78.07 96.99 5.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.39 27.69 4.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -48.17 128.75 12.46 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.739 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -101.46 11.33 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -123.97 17.77 9.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.718 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -104.07 156.94 5.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -108.64 107.42 17.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -50.69 -17.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.44 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 78.3 p -102.28 -21.77 14.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -124.35 26.3 7.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.9 mt -50.89 -40.92 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.584 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 14.6 pt-20 -60.57 -35.32 75.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -62.79 -19.3 63.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 79.7 m-70 -81.56 -3.73 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.4 mt -92.59 129.99 38.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLU . 30.9 p -63.65 137.84 58.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -38.63 -26.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.6 mt-10 -71.91 -47.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.2 mm-40 -84.76 -53.43 5.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CE2' HD12 ' A' ' 61' ' ' ILE . 38.5 t80 -36.81 -32.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.0 t80 -83.46 -40.87 18.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.7 mt-30 -63.72 -16.24 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.76 -58.7 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.7 m-85 -80.67 -33.67 35.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.11 23.5 12.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.689 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.54 175.19 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.345 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.2 p -94.53 141.34 28.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.564 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.9 tp -39.31 -39.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.406 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 13.0 t -57.64 -42.02 82.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 9.3 mm-40 -79.21 -34.75 42.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 64.6 t80 -60.49 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -62.33 -16.31 53.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -91.06 3.52 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.689 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.3 mt -86.45 177.35 7.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.16 140.58 32.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -38.42 -50.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.8 p-90 -58.9 -41.48 87.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -67.19 -45.15 77.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -64.5 -28.24 69.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -94.3 -19.74 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -82.21 -42.64 18.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -61.7 -55.1 34.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.0 mtpt -48.8 -38.77 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -63.16 -33.64 75.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -84.15 -17.8 38.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.24 11.05 38.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.774 ' C ' HG12 ' A' ' 27' ' ' VAL . 12.8 mtt85 55.48 31.53 17.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.9 mt -116.58 13.84 15.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 3.4 t80 -115.73 144.47 43.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.6 t -134.66 -38.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.85 124.42 5.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 170.66 16.13 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 2.275 . . . . 0.0 112.307 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 t -121.62 79.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.4 m -85.19 120.54 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -45.72 124.6 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -137.49 166.56 23.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.49 98.44 2.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -52.87 114.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -163.61 109.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.67 117.01 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.22 80.68 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -162.36 134.72 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' ALA . 19.6 m -33.75 136.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -86.33 34.73 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -75.25 124.21 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.32 -42.66 22.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mtm -52.11 -54.12 34.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 mmt-85 -145.72 170.78 15.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -113.71 106.87 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 27.8 m-85 -98.49 101.2 12.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 49.3 tttt -48.79 141.73 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mm -72.8 110.45 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.5 m-85 -120.84 147.07 45.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.69 0.757 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.668 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.71 141.92 46.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.707 2.272 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.906 ' CE2' HD21 ' A' ' 26' ' ' LEU . 41.8 t80 -48.34 -47.75 36.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -41.49 -67.96 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.918 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.95 65.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.98 9.87 7.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.906 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.6 mt -71.77 168.01 18.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.819 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.5 p -130.75 35.11 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.3 p -51.99 110.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.3 m -47.82 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -83.96 -45.04 13.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -46.26 157.3 0.44 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.9 mtm-85 -83.0 86.4 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.7 156.5 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -121.22 33.21 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.02 127.58 93.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.74 -172.22 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.731 2.288 . . . . 0.0 112.326 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.16 -1.97 35.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -109.34 19.87 18.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.71 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -106.69 154.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.8 OUTLIER -108.03 105.14 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 9.0 mpt_? -50.51 -17.22 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.6 p -99.26 -22.12 15.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -127.93 32.29 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.4 mt -56.63 -39.98 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 6.2 pm0 -59.26 -31.06 68.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 65.3 mtt180 -69.6 -17.38 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.8 m-70 -82.72 -1.81 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.518 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -93.95 128.18 40.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' GLU . 59.3 p -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -39.62 -25.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' SER . 17.3 mt-10 -75.22 -45.57 39.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.6 mm-40 -83.33 -53.99 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.541 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.2 t80 -37.04 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.507 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -83.33 -40.32 19.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.4 mt-30 -64.24 -16.55 62.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.68 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 81' ' ' LEU . 78.2 m-85 -80.91 -33.74 33.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 23.87 12.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.696 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -165.09 175.44 9.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.0 p -95.15 140.63 29.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.541 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.7 tp -39.0 -39.41 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 61' ' ' ILE . 21.5 t -57.36 -42.45 82.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 47.4 mm-40 -79.12 -34.76 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -59.55 -48.37 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -18.27 56.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -89.48 3.6 51.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.696 HD11 ' SD ' ' A' ' 59' ' ' MET . 72.3 mt -84.91 176.24 8.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -80.91 137.96 36.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.462 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.2 tm? -37.09 -50.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.497 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 47.2 p-90 -59.36 -39.36 83.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 25.5 tptt -68.96 -45.58 70.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -63.09 -29.38 70.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -94.13 -19.64 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -83.48 -43.83 15.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.56 -54.91 41.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.9 mtpt -51.24 -38.15 50.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -62.4 -36.11 81.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -82.41 -18.35 42.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.71 9.46 42.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.819 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.5 mtt180 56.23 30.95 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.9 mt -117.12 14.61 14.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.477 ' CZ ' ' HA2' ' A' ' 84' ' ' GLY . 6.4 t80 -112.7 138.26 49.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 6.0 p -113.96 -45.04 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' HA2' ' CZ ' ' A' ' 82' ' ' PHE . . . 102.68 124.32 5.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -175.3 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.3 t -118.81 143.4 46.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -75.59 130.74 39.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -82.33 -56.46 3.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -162.72 146.85 11.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.36 -105.91 1.97 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -48.28 124.95 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -45.48 147.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.63 154.3 25.75 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -120.3 -56.73 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.642 ' HB1' HG12 ' A' ' 19' ' ' ILE . . . -63.62 -75.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.9 m -110.96 -175.66 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -125.65 53.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -108.24 152.26 24.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.43 -42.36 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -51.03 -66.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.322 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.6 mmt-85 -133.25 176.03 8.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -113.02 98.04 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 20.7 m-85 -90.58 102.33 15.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -53.04 139.41 28.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.642 HG12 ' HB1' ' A' ' 9' ' ' ALA . 22.2 mm -69.68 108.91 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB2' HD21 ' A' ' 25' ' ' LEU . 33.1 m-85 -118.21 148.69 44.28 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.66 0.743 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.635 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 139.12 39.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.893 ' CE2' HD21 ' A' ' 26' ' ' LEU . 48.4 t80 -47.59 -46.25 28.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.537 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.5 pt-20 -42.97 -66.66 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.945 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.11 -22.18 64.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 24' ' ' LEU . 14.9 mt -82.99 11.68 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.893 HD21 ' CE2' ' A' ' 22' ' ' TYR . 39.7 mt -73.0 167.66 20.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.714 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.4 p -134.99 13.53 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -61.26 115.95 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -55.01 -64.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -67.88 -6.84 23.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.36 -166.05 41.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -104.64 81.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -79.27 96.64 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -94.58 24.19 4.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -46.18 128.78 7.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.735 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 -174.25 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -100.69 10.6 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -123.12 17.92 9.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -104.2 158.43 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -109.19 108.81 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HB3' ' CB ' ' A' ' 83' ' ' SER . 9.6 mpt_? -52.75 -15.54 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.0 p -104.4 -19.49 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 mmt85 -124.93 24.45 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 40' ' ' ASP . 61.8 mt -50.82 -41.46 57.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 4.6 pm0 -61.09 -33.42 73.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 20.7 mtt85 -66.72 -17.75 65.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 70.9 m-70 -81.52 -3.89 54.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.51 HD21 ' CA ' ' A' ' 22' ' ' TYR . 20.7 mt -94.51 129.82 41.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.81 150.46 41.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -51.81 -17.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.96 -41.28 23.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.0 mm-40 -91.57 -52.75 4.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 61' ' ' ILE . 30.0 t80 -37.91 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.8 t80 -84.77 -40.19 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.2 mt-30 -64.92 -16.17 62.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.0 t -97.47 -57.11 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 81' ' ' LEU . 75.3 m-85 -82.18 -33.79 29.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.58 24.5 12.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.685 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -164.92 176.23 8.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.8 p -96.56 141.18 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.0 tp -38.76 -39.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 10.9 t -56.57 -42.88 79.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' THR . 39.4 mm-40 -78.98 -35.08 43.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -59.63 -51.58 69.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -18.64 37.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -89.16 3.71 50.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.685 HD11 ' SD ' ' A' ' 59' ' ' MET . 80.4 mt -85.91 177.65 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.68 138.97 33.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.5 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.3 tm? -37.64 -49.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.945 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.509 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.8 p-90 -59.76 -40.17 87.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.2 tptt -68.59 -45.28 72.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -63.46 -28.55 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -95.15 -19.42 20.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -82.84 -42.93 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.4 mt -61.06 -51.31 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -52.67 -41.37 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -60.67 -33.98 73.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -83.32 -18.69 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.58 8.89 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.714 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 57.99 31.5 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.8 mt -117.5 14.11 14.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' CZ ' ' CA ' ' A' ' 84' ' ' GLY . 12.8 t80 -110.94 144.14 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 4.8 p -112.69 -45.37 3.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.676 ' CA ' ' CZ ' ' A' ' 82' ' ' PHE . . . 73.3 92.2 0.12 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 163.53 37.97 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.698 2.266 . . . . 0.0 112.334 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.5 p -89.35 113.98 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -65.08 152.21 44.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 p -95.78 98.38 10.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -105.34 142.0 35.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.93 119.48 4.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -101.12 -38.73 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 m -95.85 60.37 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.6 46.34 4.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.36 -47.8 84.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -170.88 144.92 2.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.102 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG13 HD11 ' A' ' 19' ' ' ILE . 33.8 m -37.6 129.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -92.39 38.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -62.17 129.55 41.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.05 -40.13 83.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ptp -57.37 -58.79 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -151.09 171.59 17.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -105.9 101.69 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.576 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 25.3 m-85 -93.18 103.69 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.529 ' HE2' ' CE1' ' A' ' 20' ' ' TYR . 64.7 tttt -53.25 134.84 39.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.432 HD11 HG13 ' A' ' 10' ' ' VAL . 44.2 mm -64.68 112.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.529 ' CE1' ' HE2' ' A' ' 18' ' ' LYS . 34.2 m-85 -120.93 147.68 46.86 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.764 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.72 137.65 36.08 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.358 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.917 ' CE2' HD21 ' A' ' 26' ' ' LEU . 42.4 t80 -45.31 -47.45 13.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.8 pt-20 -41.85 -66.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.933 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -68.9 -21.65 64.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.45 10.3 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.917 HD21 ' CE2' ' A' ' 22' ' ' TYR . 41.9 mt -72.08 171.27 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.849 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p -134.74 35.83 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -91.32 137.96 31.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 m -80.92 -47.69 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -91.87 12.7 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.17 -162.06 24.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 -104.93 59.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 28' ' ' THR . 24.7 p-10 -92.95 121.88 34.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.4 tmt_? -120.61 35.0 5.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 34' ' ' ARG . 19.5 mt -35.44 128.01 0.57 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.3 Cg_endo -69.75 -174.38 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.284 . . . . 0.0 112.366 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -100.93 10.96 40.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.78 18.4 9.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.88 157.71 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -109.78 108.34 18.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.21 -16.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.1 p -102.31 -21.1 14.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -124.45 26.82 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ASP . 78.2 mt -52.88 -39.31 62.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -62.34 -35.13 78.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -63.93 -20.81 66.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 72.8 m-70 -78.01 -4.05 45.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.6 mt -93.19 128.78 39.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 93.5 p -61.46 138.61 58.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -39.07 -25.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 22.1 mt-10 -74.35 -47.84 31.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 55' ' ' GLN . 3.1 mm-40 -81.51 -53.64 6.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.624 ' CE2' HD12 ' A' ' 61' ' ' ILE . 18.6 t80 -37.38 -33.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.85 -39.47 19.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' GLU . 18.7 mt-30 -64.97 -16.15 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.0 t -97.75 -57.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 74.1 m-85 -81.59 -33.14 31.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.06 23.05 15.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.8 ptp -163.61 174.48 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.786 0.327 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 67.1 p -94.83 140.96 29.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.624 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.7 tp -38.55 -39.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 12.2 t -56.62 -42.85 79.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 32.8 mt-10 -78.55 -34.86 46.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.0 -46.5 89.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -63.64 -16.95 62.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -91.21 5.14 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.5 mt -87.49 177.91 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.42 140.25 32.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.37 -50.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 50.1 p-90 -59.2 -39.89 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 24.0 tptt -68.92 -45.2 71.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.36 -28.47 69.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -95.51 -18.85 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -84.24 -43.32 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.09 -54.46 45.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 51.2 mtpt -51.27 -37.53 47.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -62.4 -34.2 76.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.73 -18.7 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.3 10.89 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.849 ' C ' HG12 ' A' ' 27' ' ' VAL . 9.2 mtt85 55.5 31.24 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.2 mt -116.5 14.67 15.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 6.8 t80 -114.66 146.08 41.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -133.15 -43.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.55 114.33 1.98 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 92.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.29 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -72.17 169.02 17.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.3 p -121.38 -46.74 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -84.26 -53.37 5.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t 46.0 42.71 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -177.04 141.42 5.37 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 28.1 t -37.54 111.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 t -109.08 -62.75 1.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.62 166.82 16.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 8' ' ' ASN . 3.3 t30 -108.48 116.68 32.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -173.61 151.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 33.0 m -34.1 140.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -87.05 29.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -72.75 -174.98 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' MET . . . -135.47 -58.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.504 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.8 pmm? -35.43 -42.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' N ' ' HG2' ' A' ' 14' ' ' MET . 4.0 mmt85 -156.99 166.92 32.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -102.15 86.59 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 10.5 m-85 -81.92 102.3 10.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 22.4 tttp -58.8 146.99 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mm -72.5 107.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' HD21 ' A' ' 25' ' ' LEU . 48.2 m-85 -118.44 147.5 42.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.725 0.774 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.9 Cg_endo -69.75 140.35 42.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.886 ' CE1' HD21 ' A' ' 26' ' ' LEU . 39.6 t80 -47.57 -46.76 28.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.583 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -42.3 -67.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -68.41 -21.77 64.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.659 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.5 mt -82.34 10.59 6.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.886 HD21 ' CE1' ' A' ' 22' ' ' TYR . 33.0 mt -72.17 168.71 17.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.847 HG12 ' C ' ' A' ' 80' ' ' ARG . 7.2 p -134.93 37.44 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.51 108.68 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 60.1 m -46.91 -63.94 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.22 53.09 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.17 -154.59 6.32 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.45 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -104.01 64.1 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -107.84 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -118.88 39.42 3.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -41.31 129.6 2.17 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.566 0.698 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.817 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.74 -173.01 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.644 2.229 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -102.87 12.77 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -125.88 17.81 7.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.742 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.78 160.52 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -110.58 105.05 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -18.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.413 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 69.5 p -101.49 -21.4 14.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.79 26.1 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 40' ' ' ASP . 80.3 mt -52.56 -39.88 61.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -61.39 -32.38 72.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -68.4 -14.58 63.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.58 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 77.3 m-70 -85.19 -1.5 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.9 mt -95.15 128.5 42.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' GLU . 7.9 p -63.05 139.85 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -39.3 -25.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.9 mt-10 -71.94 -51.65 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 55' ' ' GLN . 6.1 mt-10 -80.94 -53.49 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 61' ' ' ILE . 29.6 t80 -36.8 -31.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 7.7 t80 -85.42 -40.06 16.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 52' ' ' GLU . 22.2 mt-30 -65.01 -16.54 63.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 22' ' ' TYR . 52.4 t -97.49 -55.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.0 m-85 -83.8 -35.14 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.8 25.62 10.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.572 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -164.84 178.4 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 61.3 p -97.65 140.28 32.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.6 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -39.48 -38.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -58.07 -42.06 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' THR . 6.0 mm-40 -78.72 -35.67 44.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.68 -48.45 81.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.97 -12.25 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -93.6 3.57 55.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 ' SD ' ' A' ' 59' ' ' MET . 83.2 mt -86.58 177.12 7.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.96 140.08 31.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.065 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -36.16 -51.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 46.6 p-90 -58.85 -39.79 82.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.676 ' HZ2' HD21 ' A' ' 75' ' ' LEU . 14.3 tptp -69.25 -46.71 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -63.35 -28.51 70.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' HD22 ' A' ' 69' ' ' LEU . 31.2 m-80 -94.71 -19.41 20.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -82.05 -43.59 17.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.676 HD21 ' HZ2' ' A' ' 71' ' ' LYS . 72.1 mt -61.2 -54.64 41.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.0 mtpt -51.08 -39.63 56.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -60.43 -34.03 73.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -83.61 -25.49 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.06 12.07 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.847 ' C ' HG12 ' A' ' 27' ' ' VAL . 5.9 mtt180 53.88 32.52 15.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.602 HD12 ' CE1' ' A' ' 57' ' ' PHE . 15.0 mt -116.18 13.0 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 5.0 t80 -115.42 146.97 41.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.4 t -150.84 106.42 3.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.32 114.91 7.25 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.0 55.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.63 2.22 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.2 t 42.27 52.12 4.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -107.72 -52.85 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -122.49 -56.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -45.96 169.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.25 138.07 5.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -82.62 150.68 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -163.55 158.01 20.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.05 -161.05 45.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -102.61 111.49 23.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -159.3 142.41 14.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 9' ' ' ALA . 17.8 m -34.6 135.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -103.57 45.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -68.32 -47.49 67.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.41 -69.7 0.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.7 mtm -38.81 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -111.73 -174.77 2.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -125.23 91.39 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.557 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.8 m-85 -90.01 104.0 16.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 10.0 ttmm -62.19 148.67 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -73.11 114.73 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' HB3' HD11 ' A' ' 24' ' ' LEU . 50.2 m-85 -125.81 148.13 61.24 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.721 0.772 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.79 138.17 37.1 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.869 ' CE2' HD21 ' A' ' 26' ' ' LEU . 59.9 t80 -44.26 -49.47 9.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.581 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -39.76 -70.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.915 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.56 -22.36 66.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.2 mt -82.16 10.82 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD21 ' CE2' ' A' ' 22' ' ' TYR . 27.3 mt -72.98 170.07 15.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.809 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.7 p -134.57 41.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.07 112.05 24.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.1 m -53.02 -67.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' CD ' ' O ' ' A' ' 30' ' ' ARG . 2.5 ppt_? -81.57 41.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.4 -160.77 9.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 32' ' ' ARG . 2.4 mpt_? -99.52 60.42 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -102.99 115.59 30.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -116.56 36.49 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.0 mt -38.48 131.19 1.05 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.845 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.4 Cg_endo -69.74 -171.79 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.746 2.298 . . . . 0.0 112.345 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -104.05 12.35 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -125.67 18.23 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.736 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -103.11 158.33 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.27 107.16 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -51.61 -16.14 0.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 34.7 p -102.38 -20.46 14.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -127.64 29.11 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ASP . 75.6 mt -53.84 -42.26 68.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 23.1 pm0 -60.33 -29.71 69.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 19.0 mtt85 -70.08 -13.32 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 68.5 m-70 -85.9 -8.05 58.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.1 mt -86.67 132.29 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLU . 2.5 p -66.3 138.73 57.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -39.42 -25.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' SER . 13.0 mm-40 -72.59 -47.35 48.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' GLN . 13.5 mt-10 -85.83 -53.45 5.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.7 t80 -36.57 -32.83 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 3.6 t80 -83.01 -40.75 19.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.1 mt-30 -64.89 -17.07 63.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.476 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.7 t -96.46 -56.81 4.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.633 ' CE1' HD12 ' A' ' 81' ' ' LEU . 72.0 m-85 -82.34 -34.53 28.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 24.61 10.92 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.524 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -165.52 176.24 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' GLU . 81.8 p -96.17 139.73 31.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.523 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -38.3 -39.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 61' ' ' ILE . 8.5 t -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' THR . 30.8 mt-10 -78.23 -34.96 48.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.35 -50.07 75.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -19.57 50.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -88.53 2.74 52.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 59' ' ' MET . 81.1 mt -84.23 177.29 8.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -82.07 139.82 34.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.43 -49.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.534 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.2 p-90 -59.66 -39.93 86.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.6 tptt -68.85 -45.08 72.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -64.56 -28.16 69.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -96.7 -17.33 20.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 19.2 tt0 -85.5 -42.03 14.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.78 -55.3 31.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 52.0 mtpt -49.69 -39.19 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.952 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.56 -34.02 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -83.61 -20.71 33.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.9 9.12 44.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.809 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.2 mtt180 57.31 31.84 20.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.633 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.4 mt -117.14 14.44 14.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 10.0 t80 -114.29 145.99 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 t -133.04 -41.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.73 124.88 5.43 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.465 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 103.92 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 58.5 m -75.43 127.33 32.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.4 m -126.68 103.75 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -113.96 -25.92 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -68.12 128.65 37.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.68 -120.76 4.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -90.56 50.58 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -103.69 115.42 30.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.16 164.58 32.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.99 108.86 19.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -167.09 131.57 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 m -34.53 134.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -96.56 28.09 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.429 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 60.0 m95 -55.6 123.1 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.28 -52.06 52.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -44.07 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -137.53 174.42 10.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -112.48 108.84 18.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 23.5 m-85 -100.58 101.75 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -51.67 141.7 16.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.0 mm -69.39 109.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 25' ' ' LEU . 39.3 m-85 -119.29 147.55 43.36 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.702 0.763 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.661 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 143.2 50.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.878 ' CE1' HD21 ' A' ' 26' ' ' LEU . 27.5 t80 -51.29 -44.84 61.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.596 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.3 pt-20 -44.26 -65.34 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.38 -22.05 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 15.5 mt -82.45 10.55 6.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.878 HD21 ' CE1' ' A' ' 22' ' ' TYR . 34.0 mt -71.21 168.6 16.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.827 HG12 ' C ' ' A' ' 80' ' ' ARG . 6.0 p -135.04 30.88 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -41.54 117.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.3 m -56.44 -19.45 15.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' GLY . 8.4 mtp180 -127.81 -57.49 1.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' ARG . . . -34.5 147.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -73.57 78.72 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 155.91 6.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 2.8 tmt_? -121.5 31.64 6.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.59 128.79 75.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.592 0.711 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.832 ' HD3' HD13 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.75 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.623 2.216 . . . . 0.0 112.356 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -100.87 14.42 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -126.89 16.19 7.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -102.23 155.72 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.4 t0 -108.79 108.7 19.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.22 -15.39 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -101.84 -23.68 14.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -124.49 29.93 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' ASP . 72.8 mt -53.69 -39.79 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 46' ' ' ARG . 25.1 pm0 -62.9 -31.72 72.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 45' ' ' GLU . 24.4 mtt85 -67.78 -16.04 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 71.2 m-70 -83.0 -5.62 59.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -89.31 130.77 35.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -62.02 137.04 58.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -38.74 -26.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.7 mt-10 -75.79 -45.22 37.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.5 mt-10 -83.03 -52.41 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CE2' HD12 ' A' ' 61' ' ' ILE . 19.4 t80 -38.92 -33.15 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.54 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.7 t80 -83.39 -38.97 21.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' GLU . 20.1 mt-30 -65.4 -16.03 63.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 64.8 t -97.97 -56.97 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.63 ' CE1' HD12 ' A' ' 81' ' ' LEU . 76.8 m-85 -81.71 -32.73 31.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.43 23.89 15.45 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.5 ptp -164.72 173.31 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.0 p -93.43 141.08 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.611 HD12 ' CE2' ' A' ' 53' ' ' PHE . 3.4 tp -38.79 -39.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.419 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 8.7 t -57.19 -42.39 81.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.6 mm-40 -78.92 -34.53 44.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -59.68 -49.99 75.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.78 -13.17 21.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 -92.84 3.69 55.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.1 mt -87.7 177.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -81.88 140.11 34.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -38.23 -50.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.515 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.3 p-90 -59.33 -39.81 84.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.515 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 31.8 tptt -69.14 -45.5 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -63.96 -28.85 70.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -94.83 -18.79 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -84.09 -42.98 15.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.44 -54.09 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 50.8 mtpt -51.29 -40.49 59.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.77 -35.52 76.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.8 -19.39 41.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -102.08 14.3 32.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.827 ' C ' HG12 ' A' ' 27' ' ' VAL . 2.6 mtt-85 51.79 32.56 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.63 HD12 ' CE1' ' A' ' 57' ' ' PHE . 12.3 mt -115.64 12.08 15.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 7.9 t80 -115.41 142.23 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -131.04 -38.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.88 140.44 10.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 123.55 10.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.7 t -70.5 84.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.3 m -105.62 165.69 10.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.9 p -48.5 109.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -157.79 129.99 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.69 -152.48 23.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 t 40.59 41.31 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -136.9 158.37 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.3 -153.76 9.08 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 m120 44.09 43.47 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.6 -179.78 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -64.59 -178.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -126.81 35.83 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -83.87 121.61 27.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.82 98.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -48.03 -71.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.785 0.326 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -136.34 176.37 8.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -111.15 105.75 14.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 19.5 m-85 -96.2 101.53 13.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 53.8 tttt -53.25 135.76 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mm -65.21 109.86 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.484 ' HB3' HD11 ' A' ' 24' ' ' LEU . 45.0 m-85 -119.22 146.95 41.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.677 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.75 141.43 45.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.91 ' CE2' HD21 ' A' ' 26' ' ' LEU . 45.3 t80 -48.03 -47.46 33.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.533 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.2 pt-20 -41.58 -68.65 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -66.76 -22.03 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.9 mt -82.07 10.35 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.91 HD21 ' CE2' ' A' ' 22' ' ' TYR . 37.1 mt -73.03 170.28 15.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.8 HG12 ' C ' ' A' ' 80' ' ' ARG . 8.7 p -133.99 37.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 30.8 p -58.15 106.32 0.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.6 m -38.17 -70.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.6 33.9 4.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.42 -141.03 11.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -118.49 37.01 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.317 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' THR . 0.6 OUTLIER -54.81 139.33 40.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -127.91 44.88 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.44 130.94 93.71 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.587 0.708 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.823 ' HD3' HD13 ' A' ' 24' ' ' LEU . 52.8 Cg_endo -69.82 -173.29 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -102.28 13.12 35.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -125.83 16.98 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -102.14 154.51 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.168 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -109.13 106.16 15.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.544 HH21 HG23 ' A' ' 27' ' ' VAL . 44.8 mmm-85 -49.51 -18.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.432 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 59.5 p -99.05 -22.71 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -125.83 31.44 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 81' ' ' LEU . 98.3 mt -56.54 -43.82 80.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -56.66 -32.96 65.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -65.07 -23.14 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 76.4 m-70 -77.48 -3.59 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.511 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.5 mt -93.9 129.0 40.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLU . 11.6 p -61.93 138.48 58.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -38.94 -25.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.3 mm-40 -74.42 -47.97 30.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -81.45 -53.74 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.535 ' CE2' HD12 ' A' ' 61' ' ' ILE . 32.2 t80 -37.04 -33.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.6 t80 -82.85 -40.45 20.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.3 mt-30 -64.14 -16.22 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.95 -57.7 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.533 ' CE1' HD12 ' A' ' 81' ' ' LEU . 79.7 m-85 -81.41 -33.84 31.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 97.92 24.59 11.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.562 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.3 ptp -165.97 177.65 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' GLU . 58.8 p -97.48 141.09 30.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.535 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.8 tp -38.61 -38.58 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 m -56.68 -43.33 80.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' THR . 12.1 mm-40 -78.48 -35.15 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 72' ' ' ARG . 64.3 t80 -60.72 -50.01 75.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.4 -15.13 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 11.5 mtp-105 -90.19 2.72 55.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD13 ' HG3' ' A' ' 71' ' ' LYS . 83.9 mt -86.42 177.3 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -88.14 141.56 28.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 19.8 tp -35.5 -53.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.5 p-90 -55.55 -40.93 72.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' NZ ' HD21 ' A' ' 75' ' ' LEU . 14.0 tptp -69.46 -48.68 60.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 66.7 mtm180 -62.88 -29.95 71.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.1 m-20 -93.25 -16.75 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 15.6 tt0 -85.04 -44.65 12.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.61 HD21 ' NZ ' ' A' ' 71' ' ' LYS . 67.6 mt -59.38 -52.83 63.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 47.2 mtpt -51.09 -42.56 60.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -59.72 -33.35 71.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -83.82 -27.73 28.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.25 12.14 21.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.8 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.0 mtt180 54.32 34.58 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.533 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.6 mt -117.62 13.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 82' ' ' PHE . 4.3 t80 -120.83 129.5 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.473 ' CB ' ' HB3' ' A' ' 41' ' ' ARG . 3.0 t -105.09 -51.63 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.59 92.41 1.6 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.86 4.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -86.42 38.87 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.9 t -136.74 124.44 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 m -70.65 -47.92 57.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.376 . . . . 0.0 110.829 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 m -154.48 167.14 31.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.08 92.18 0.12 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 t -60.42 -47.95 83.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -83.08 153.69 24.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -143.47 -88.36 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.0 t-20 37.18 41.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -162.85 141.56 8.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HB ' ' CD1' ' A' ' 12' ' ' TRP . 35.1 m -33.65 135.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -82.0 40.1 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.477 ' CD1' ' HB ' ' A' ' 10' ' ' VAL . 19.9 m95 -85.68 120.81 27.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.41 -39.99 41.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.3 mtm -50.71 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -131.15 178.8 6.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -118.67 91.85 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 9.5 m-85 -86.96 102.88 14.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.8 tttp -59.67 139.56 57.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.895 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 mm -65.6 110.46 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.167 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.433 ' HB2' HD21 ' A' ' 25' ' ' LEU . 38.6 m-85 -122.19 147.75 50.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.707 0.765 . . . . 0.0 110.957 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.655 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.77 141.11 44.3 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.414 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 47.2 t80 -48.96 -45.96 42.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -43.03 -66.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.925 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -69.26 -21.68 63.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.47 10.26 7.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 42.9 mt -71.82 168.76 17.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG12 ' C ' ' A' ' 80' ' ' ARG . 3.7 p -135.01 31.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 28' ' ' THR . 18.8 p -43.68 116.38 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 29' ' ' THR . 41.1 m -57.46 -14.44 4.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' GLY . 7.4 mtp180 -128.09 -59.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' ARG . . . -35.39 146.61 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.472 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -72.04 70.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -48.02 152.69 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' CD ' ' O ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -120.38 32.46 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.0 mt -57.86 129.35 81.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.802 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.0 Cg_endo -69.81 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.15 11.46 37.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.79 18.96 8.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -102.95 158.01 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -110.22 104.39 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -50.07 -17.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.5 p -98.99 -22.95 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -128.23 33.16 4.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' ASP . 95.1 mt -55.31 -39.93 70.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' CZ ' ' A' ' 64' ' ' PHE . 12.6 pt-20 -60.61 -34.21 73.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -63.88 -19.05 64.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.585 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.5 m-70 -81.02 -3.71 52.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 17.0 mt -91.89 126.04 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' GLU . 62.6 p -62.8 140.67 58.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -39.28 -25.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.8 mt-10 -71.7 -51.89 20.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' GLN . 9.5 mt-10 -82.26 -53.59 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.665 ' CE2' HD12 ' A' ' 61' ' ' ILE . 26.3 t80 -35.95 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -85.76 -40.99 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.4 mt-30 -63.95 -16.97 62.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 58.6 t -97.07 -58.0 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.638 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.5 m-85 -81.01 -34.24 33.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.42 24.49 11.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.624 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.2 ptp -166.15 175.2 8.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.6 p -94.09 142.22 27.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.3 tp -41.18 -33.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.5 t -62.22 -41.15 98.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' THR . 5.7 mm-40 -80.12 -33.55 38.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CZ ' ' OE1' ' A' ' 45' ' ' GLU . 69.7 t80 -61.38 -45.05 95.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -64.89 -16.5 63.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -91.12 3.12 55.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.624 HD11 ' SD ' ' A' ' 59' ' ' MET . 89.3 mt -86.42 176.36 7.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.46 141.72 31.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.6 tp -38.18 -53.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.6 p-90 -55.16 -41.03 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.578 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.2 tptt -68.27 -48.12 65.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.6 mtm180 -63.85 -29.51 70.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.6 m-20 -94.72 -15.27 24.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 4.5 tp10 -88.41 -43.93 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.12 -55.43 35.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -49.42 -39.84 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 58.6 mttt -60.12 -33.83 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -84.82 -20.7 30.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.51 10.45 40.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.713 ' C ' HG12 ' A' ' 27' ' ' VAL . 14.9 mtt85 56.43 32.02 19.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 57' ' ' PHE . 18.1 mt -117.75 15.67 14.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.486 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 28.5 t80 -116.73 133.13 56.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.0 t -122.22 -40.4 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.83 140.68 8.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -175.34 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.9 p -128.94 149.71 50.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -106.67 162.86 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -94.61 152.09 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.373 . . . . 0.0 110.817 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -101.75 94.23 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.23 97.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -156.77 168.04 28.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -166.28 128.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.4 160.32 20.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -50.49 116.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.33 137.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -98.62 136.08 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 12' ' ' TRP . 4.3 t30 -117.41 47.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.456 ' C ' ' O ' ' A' ' 11' ' ' ASN . 59.6 m95 -33.69 135.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.77 -29.48 0.28 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 14' ' ' MET . 4.1 mpp? -80.43 -62.38 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -145.81 171.89 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.835 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -103.35 100.26 10.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.565 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 18.3 m-85 -91.43 101.49 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.09 155.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 19' ' ' ILE . 13.9 mm -83.16 106.49 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.47 ' HB2' HD21 ' A' ' 25' ' ' LEU . 46.9 m-85 -117.15 147.63 40.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.664 0.745 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.1 Cg_endo -69.67 140.92 44.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.898 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -48.17 -46.58 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -42.5 -67.39 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.9 -21.65 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 24' ' ' LEU . 12.1 mt -82.53 10.83 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.898 HD21 ' CE2' ' A' ' 22' ' ' TYR . 36.5 mt -72.95 167.54 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.832 HG12 ' C ' ' A' ' 80' ' ' ARG . 9.3 p -131.82 41.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 p -59.26 113.21 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.5 m -49.19 -61.73 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -86.21 -40.96 15.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.88 165.15 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -91.39 70.51 6.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.9 150.08 8.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -119.27 35.48 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.55 128.4 91.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.804 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.81 -172.9 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.291 . . . . 0.0 112.305 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -102.94 10.5 38.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -123.68 19.17 9.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.727 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.1 156.6 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -108.04 107.24 17.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -16.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.8 p -103.08 -19.76 14.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -127.73 28.05 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 71.6 mt -52.13 -38.24 56.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 18.8 pt-20 -62.55 -35.43 79.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -63.86 -18.26 63.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.582 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 75.9 m-70 -81.74 -3.26 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.2 mt -92.68 126.32 37.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' GLU . 77.7 p -60.73 138.95 58.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -39.67 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' SER . 24.8 mm-40 -74.71 -45.79 41.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.1 mm-40 -84.82 -53.27 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.655 ' CE2' HD12 ' A' ' 61' ' ' ILE . 16.5 t80 -37.44 -30.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.512 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.2 t80 -85.93 -39.92 16.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 14.5 mt-30 -64.46 -16.56 62.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 22' ' ' TYR . 57.0 t -97.24 -57.46 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.596 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.4 m-85 -81.66 -34.32 30.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.64 22.28 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.605 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -162.52 176.52 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' GLU . 44.4 p -96.49 141.04 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.655 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -39.24 -38.66 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.3 t -57.28 -42.55 81.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' THR . 24.4 mt-10 -79.07 -35.19 42.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.606 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 61.0 t80 -61.02 -49.76 76.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.81 -19.15 49.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -88.7 4.16 48.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD11 ' SD ' ' A' ' 59' ' ' MET . 91.0 mt -86.77 176.31 7.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.69 141.53 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.455 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 20.4 tp -37.77 -53.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 45.8 p-90 -54.95 -40.65 70.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.582 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 30.7 tptt -68.77 -48.37 63.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' HA ' ' CZ ' ' A' ' 64' ' ' PHE . 55.7 mtm180 -63.59 -29.65 70.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 92.1 m-20 -94.36 -15.15 24.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 8.0 tp10 -88.43 -44.17 10.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.63 -52.87 63.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 47.5 mtpt -51.36 -39.23 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -61.46 -33.61 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -84.41 -20.35 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -98.89 9.95 42.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.832 ' C ' HG12 ' A' ' 27' ' ' VAL . 8.8 mtt180 56.19 32.37 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.1 mt -116.73 9.69 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' HB2' ' CB ' ' A' ' 76' ' ' LYS . 16.2 t80 -109.69 136.94 48.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 m -130.16 -39.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.12 125.16 3.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.528 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 174.58 9.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.718 2.278 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 p -66.42 130.27 42.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -43.47 -51.32 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -80.79 102.23 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -97.06 171.94 8.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.53 -177.33 36.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 p -126.24 154.79 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.834 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -49.05 168.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.54 -37.02 3.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -94.36 -38.43 10.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.835 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -156.68 136.3 12.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 9' ' ' ALA . 31.7 m -33.83 135.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -90.79 25.79 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -59.65 124.73 21.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.6 -27.19 65.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.5 mtm -66.37 -69.82 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -126.94 179.7 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -117.74 93.74 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 12.6 m-85 -91.09 102.06 14.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 30.7 tttp -56.83 137.5 54.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 19' ' ' ILE . 27.4 mm -65.17 110.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.566 ' HB2' HD21 ' A' ' 25' ' ' LEU . 47.5 m-85 -121.96 147.83 49.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.666 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.4 Cg_endo -69.76 140.16 41.99 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.902 ' CE2' HD21 ' A' ' 26' ' ' LEU . 44.4 t80 -46.19 -48.89 17.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' HD12 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -40.69 -69.78 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.924 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.97 -22.4 66.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.7 mt -81.47 8.23 9.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.902 HD21 ' CE2' ' A' ' 22' ' ' TYR . 35.1 mt -70.43 169.69 13.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.719 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.2 p -132.56 26.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.405 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 18.9 p -41.95 125.11 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 92.3 m -65.36 -50.4 65.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? -123.17 34.34 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.86 -148.7 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -120.1 60.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 33' ' ' ASN . 0.8 OUTLIER -74.23 142.92 45.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' O ' ' HD3' ' A' ' 34' ' ' ARG . 1.4 tmt_? -125.07 43.26 3.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.2 131.58 80.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.591 0.71 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.831 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.28 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -102.89 11.96 36.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.26 18.67 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.728 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.7 OUTLIER -103.06 156.78 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.6 OUTLIER -106.68 106.43 16.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.84 -17.24 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.424 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 80.8 p -102.57 -22.26 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -124.25 26.22 7.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ASP . 58.9 mt -50.1 -39.72 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 64' ' ' PHE . 9.2 pt-20 -62.32 -33.13 74.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 66.8 mtt180 -65.9 -15.19 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 73.4 m-70 -85.04 -4.22 59.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.81 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 22' ' ' TYR . 18.5 mt -91.24 127.34 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' GLU . 28.3 p -63.86 140.36 58.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -39.0 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' SER . 19.9 mm-40 -70.9 -50.33 36.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 55' ' ' GLN . 5.4 mt-10 -83.98 -53.77 5.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' CE2' HD12 ' A' ' 61' ' ' ILE . 35.9 t80 -36.7 -32.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.559 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 5.9 t80 -84.48 -40.44 17.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 15.1 mt-30 -64.31 -16.11 61.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.457 HG11 ' CE1' ' A' ' 22' ' ' TYR . 59.9 t -98.1 -56.92 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.623 ' CE1' HD12 ' A' ' 81' ' ' LEU . 83.3 m-85 -82.39 -34.45 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.47 23.53 12.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.627 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.7 ptp -163.92 178.11 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLU . 35.9 p -97.68 141.73 30.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.597 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.4 tp -40.17 -37.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m -58.55 -41.71 86.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' THR . 27.5 mm-40 -80.41 -34.98 35.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.587 ' CE1' ' OE2' ' A' ' 45' ' ' GLU . 60.8 t80 -60.5 -48.67 80.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -17.91 57.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -89.98 4.74 49.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.627 HD11 ' SD ' ' A' ' 59' ' ' MET . 90.1 mt -88.12 176.89 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.29 141.56 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' HG ' ' ND2' ' A' ' 73' ' ' ASN . 21.0 tp -37.87 -53.64 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.581 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.4 p-90 -55.08 -41.25 71.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.581 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 29.2 tptt -68.24 -47.74 66.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -64.07 -29.79 70.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.457 ' ND2' ' HG ' ' A' ' 69' ' ' LEU . 91.9 m-20 -94.01 -15.35 24.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 70' ' ' TRP . 16.9 tt0 -86.75 -43.38 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.92 -53.11 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.2 mtpt -50.41 -41.44 52.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HE2' ' CE2' ' A' ' 82' ' ' PHE . 82.2 mttt -59.63 -34.87 73.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -83.13 -19.68 36.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.49 11.57 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.719 ' C ' HG12 ' A' ' 27' ' ' VAL . 7.3 mtp85 55.05 32.52 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.623 HD12 ' CE1' ' A' ' 57' ' ' PHE . 16.6 mt -117.77 14.51 14.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.594 ' CE2' ' HE2' ' A' ' 77' ' ' LYS . 76.2 t80 -116.98 130.13 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' GLY . 1.7 t -126.68 45.36 2.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -36.17 112.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.19 6.01 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.322 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -88.24 101.13 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 t -50.75 159.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 -179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.6 p -73.94 -48.7 28.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.9 p -116.54 154.27 30.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.69 121.58 1.04 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -117.32 42.47 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -46.23 98.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 95.06 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.487 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 47.15 41.96 12.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.13 -176.89 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG21 ' HD1' ' A' ' 12' ' ' TRP . 23.9 m -67.49 179.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.77 38.81 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.48 ' HD1' HG21 ' A' ' 10' ' ' VAL . 67.8 m95 -79.37 120.73 24.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.91 -39.29 93.32 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -55.6 -66.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -135.55 175.4 9.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -112.42 102.31 10.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 24.3 m-85 -92.98 103.72 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 20' ' ' TYR . 37.0 tttp -54.91 142.36 29.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.1 mm -70.78 109.74 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.473 ' HB2' HD21 ' A' ' 25' ' ' LEU . 45.2 m-85 -121.2 147.26 46.46 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.687 0.756 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HD2' HD21 ' A' ' 24' ' ' LEU . 54.0 Cg_endo -69.71 141.22 44.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.728 2.286 . . . . 0.0 112.381 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.933 ' CE2' HD21 ' A' ' 26' ' ' LEU . 43.8 t80 -47.71 -48.34 29.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.4 pt-20 -41.17 -69.25 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.931 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -65.81 -21.92 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.8 mt -82.5 11.06 6.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.933 HD21 ' CE2' ' A' ' 22' ' ' TYR . 31.9 mt -74.73 168.61 19.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.752 HG12 ' C ' ' A' ' 80' ' ' ARG . 5.2 p -135.03 27.7 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' VAL . 31.8 p -33.62 132.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 29' ' ' THR . 48.9 m -70.76 -15.81 62.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -125.86 -63.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -39.51 149.31 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -77.65 83.73 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -53.23 146.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -106.41 31.89 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.441 HD13 ' NE ' ' A' ' 41' ' ' ARG . 15.5 mt -63.32 130.07 93.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.618 0.723 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.749 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.77 -173.38 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -101.9 10.73 39.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -122.73 17.14 10.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.743 HG13 ' HG2' ' A' ' 36' ' ' PRO . 1.1 m -103.56 151.27 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -105.71 109.48 21.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' NE ' HD13 ' A' ' 35' ' ' LEU . 14.8 mmt-85 -51.54 -16.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' NZ ' ' A' ' 76' ' ' LYS . 40.0 p -102.5 -18.2 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -125.84 25.7 6.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 40' ' ' ASP . 88.9 mt -53.19 -42.58 66.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' OE1' ' CE2' ' A' ' 64' ' ' PHE . 16.8 pt-20 -57.59 -34.49 69.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -65.43 -22.35 66.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.564 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 78.8 m-70 -79.0 -3.09 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD21 ' CA ' ' A' ' 22' ' ' TYR . 16.6 mt -93.73 129.45 40.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLU . 31.3 p -63.31 138.32 58.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -38.94 -25.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' SER . 18.8 mm-40 -75.74 -46.18 32.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.4 mm-40 -82.98 -53.22 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 61' ' ' ILE . 27.3 t80 -37.51 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 4.9 t80 -83.86 -40.2 18.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 52' ' ' GLU . 19.0 mt-30 -64.73 -16.26 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG11 ' CD1' ' A' ' 22' ' ' TYR . 58.5 t -97.6 -56.72 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 81' ' ' LEU . 77.6 m-85 -82.76 -34.31 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 98.41 24.54 11.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.568 ' HA ' ' CE2' ' A' ' 54' ' ' TYR . 2.5 ptp -165.55 178.17 6.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 63' ' ' GLU . 30.2 p -97.55 142.08 29.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.539 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.2 tp -41.5 -34.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.4 m -61.29 -40.76 95.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 60' ' ' THR . 40.7 mt-10 -81.58 -34.49 31.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CE2' ' OE1' ' A' ' 45' ' ' GLU . 69.4 t80 -59.5 -47.9 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -16.72 50.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.17 2.39 54.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.428 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.5 mt -84.8 177.03 8.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -84.88 139.07 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 69' ' ' LEU . 3.4 tm? -35.55 -51.0 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.483 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 48.3 p-90 -59.14 -41.22 87.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 68' ' ' ALA . 22.6 tptp -67.86 -45.86 73.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 -64.24 -27.69 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' HD22 ' A' ' 69' ' ' LEU . 36.9 m-80 -95.35 -19.04 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -82.69 -43.24 17.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.483 HD11 ' HZ2' ' A' ' 71' ' ' LYS . 88.4 mt -60.69 -54.95 39.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CB ' ' HB2' ' A' ' 82' ' ' PHE . 53.8 mtpt -49.29 -39.68 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 79.8 mttt -62.13 -34.07 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -84.35 -18.35 36.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.09 10.9 40.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.752 ' C ' HG12 ' A' ' 27' ' ' VAL . 6.3 mtt85 56.24 32.06 19.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.7 mt -117.4 13.68 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 13.9 t80 -122.79 133.61 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -134.99 85.99 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' SER . . . -38.26 100.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 1.92 4.01 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 t -118.47 137.16 53.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -125.15 -48.83 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -143.76 147.06 33.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -79.53 -46.23 17.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.822 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.39 -77.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -104.18 152.01 22.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.887 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 t -112.21 -53.64 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.02 165.26 23.12 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -76.18 92.98 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 10' ' ' VAL . . . -171.85 152.05 2.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ALA . 18.1 m -35.39 131.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -88.35 38.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -67.22 177.38 1.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.01 -47.66 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 1.0 OUTLIER -51.45 -41.33 60.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.877 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 14' ' ' MET . 1.8 mmt-85 -156.8 -177.49 6.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -116.13 91.88 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 47' ' ' HIS . 16.4 m-85 -89.19 101.94 14.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' CZ ' ' A' ' 20' ' ' TYR . 17.1 ttmt -56.03 143.61 31.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.401 HG23 ' OG ' ' A' ' 49' ' ' SER . 20.1 mm -69.67 108.58 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.515 ' CZ ' ' HD2' ' A' ' 18' ' ' LYS . 47.5 m-85 -117.99 147.33 41.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.668 0.746 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.676 ' HD2' HD21 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.76 138.78 38.63 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.903 ' CE2' HD21 ' A' ' 26' ' ' LEU . 40.1 t80 -46.12 -47.72 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.563 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.6 pt-20 -41.35 -67.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.72 -21.6 65.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 24' ' ' LEU . 11.6 mt -82.53 10.64 6.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.903 HD21 ' CE2' ' A' ' 22' ' ' TYR . 34.0 mt -72.7 169.13 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.751 HG12 ' C ' ' A' ' 80' ' ' ARG . 4.3 p -135.01 17.92 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.61 106.39 2.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -80.74 46.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.11 -156.01 7.0 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -111.57 68.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.12 112.28 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -101.28 30.42 4.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.4 mt -45.54 125.03 6.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.833 ' HD3' HD13 ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.8 -175.7 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.63 2.22 . . . . 0.0 112.338 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 9.33 43.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -121.6 18.32 11.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -103.76 157.12 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' LEU . 6.9 m-20 -108.14 107.15 17.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -51.31 -16.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.0 p -101.41 -22.15 14.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -125.08 28.67 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 40' ' ' ASP . 81.0 mt -52.88 -41.96 64.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 pm0 -60.36 -30.28 69.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -69.62 -14.59 62.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 69.8 m-70 -85.01 -4.19 59.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CA ' ' A' ' 22' ' ' TYR . 15.8 mt -90.72 132.76 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -63.83 136.92 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -38.98 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' SER . 16.9 mt-10 -75.2 -45.7 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.7 mm-40 -83.03 -53.63 5.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' A' ' 61' ' ' ILE . 25.7 t80 -37.62 -32.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.546 ' CE2' ' HA ' ' A' ' 59' ' ' MET . 3.8 t80 -84.09 -39.53 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 52' ' ' GLU . 12.1 mt-30 -65.24 -16.12 63.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.94 -57.09 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.627 ' CE1' HD12 ' A' ' 81' ' ' LEU . 73.5 m-85 -81.39 -33.04 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' TYR . . . 96.84 24.25 13.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.638 ' SD ' HD11 ' A' ' 67' ' ' LEU . 2.4 ptp -165.52 173.3 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' GLU . 72.6 p -93.69 141.97 27.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.528 HD12 ' CE2' ' A' ' 53' ' ' PHE . 2.6 tp -39.05 -39.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 61' ' ' ILE . 7.9 m -57.02 -42.36 80.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' THR . 33.1 mt-10 -79.09 -34.6 43.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -59.95 -51.54 69.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.72 -12.31 10.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -93.16 2.29 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.638 HD11 ' SD ' ' A' ' 59' ' ' MET . 84.8 mt -86.48 178.31 7.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' LYS . . . -83.02 139.3 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 tm? -36.66 -53.66 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.52 ' CH2' ' HD3' ' A' ' 71' ' ' LYS . 49.5 p-90 -56.39 -40.81 75.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.974 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.52 ' HD3' ' CH2' ' A' ' 70' ' ' TRP . 33.5 tptt -67.69 -47.23 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.25 -29.5 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -93.17 -19.65 21.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -82.99 -43.44 16.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.46 -55.91 28.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -50.22 -41.39 49.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 82' ' ' PHE . 75.0 mttt -59.3 -35.72 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.65 -19.81 40.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.19 9.61 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.751 ' C ' HG12 ' A' ' 27' ' ' VAL . 4.6 mtt180 57.07 31.97 20.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 57' ' ' PHE . 17.9 mt -117.26 15.23 14.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CE1' ' HE2' ' A' ' 77' ' ' LYS . 14.7 t80 -116.91 143.56 45.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 t -132.54 -37.46 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.09 141.32 12.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 113.46 3.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.355 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 t -93.5 136.16 34.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.6 m -101.71 108.74 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.543 -179.987 . . . . . . . . 0 0 . 1 stop_ save_