data_2dng_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 2dng _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 ' 35' ' ' LEU . . . . . . . . . . . . . 39.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.598 0.713 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -48.09 157.04 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.3 m -94.2 -34.48 12.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -148.01 156.6 43.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.653 0.739 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.466 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.7 169.6 15.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.72 156.98 92.42 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.352 -0.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 76.5 m-85 -98.72 84.84 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -77.61 141.92 39.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.23 144.72 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -103.01 131.57 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.88 109.39 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.11 -176.76 19.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.26 40.7 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.42 144.19 28.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -48.61 159.99 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -67.61 -44.0 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -85.02 54.61 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.9 m -109.49 127.9 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' GLN . 29.8 m -131.77 162.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' VAL . 23.9 mt-30 -35.86 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.7 -61.15 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.64 -53.02 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.62 -49.48 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.94 -48.82 60.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.99 76.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.16 -56.53 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.94 33.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 22.9 pttm -58.88 -53.43 58.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 2.4 m-20 -45.36 -32.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.0 mt -87.66 -179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -112.52 106.47 14.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.52 115.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -73.2 -50.84 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 t -150.33 161.99 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -136.69 141.96 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -126.63 115.81 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 84' ' ' CYS . 50.9 mt -102.57 153.4 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 83' ' ' PHE . 91.0 t -104.78 148.61 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.416 ' N ' HG13 ' A' ' 72' ' ' VAL . 56.8 mtt180 -152.39 144.44 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.08 167.94 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.53 -31.44 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -85.36 -70.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.7 p -62.32 -46.86 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t70 74.1 40.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -130.47 149.69 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -39.25 127.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -78.67 -42.09 29.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.63 -12.42 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.553 ' CD1' HG23 ' A' ' 72' ' ' VAL . 37.1 p90 -126.97 145.2 50.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.432 ' CB ' HD22 ' A' ' 71' ' ' LEU . 28.2 p -150.05 159.03 44.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.87 125.38 53.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.29 138.09 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.59 144.0 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 98.8 m-85 -124.41 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.78 -71.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -101.49 172.18 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 4.9 p -67.81 -35.19 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.09 -56.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 2.2 m -50.84 -52.94 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.31 -55.58 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.47 -48.28 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.87 -34.83 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.77 -19.69 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.55 -13.52 60.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -80.79 5.46 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -97.12 0.91 49.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -74.58 81.81 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.92 -13.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.95 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.77 133.71 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.1 tp -107.54 94.96 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.56 -114.48 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -98.59 22.09 10.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -147.41 178.45 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -110.17 172.68 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.13 146.86 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.33 100.84 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.88 123.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.33 155.49 42.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.78 115.36 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.7 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.651 0.738 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.15 131.24 17.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 t -82.64 -31.43 28.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -145.79 149.26 39.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.463 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.4 Cg_endo -67.72 169.65 15.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 177.91 27.16 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 -0.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.448 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 50.3 m-85 -119.44 116.29 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.3 m -106.95 140.23 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 94' ' ' LEU . . . -128.6 147.46 50.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.9 t80 -106.42 126.49 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.93 110.14 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.83 -175.06 15.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.1 51.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -116.85 144.09 32.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.89 166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -72.74 -20.48 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -101.72 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.3 m -110.0 135.17 51.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.28 175.69 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.36 -55.18 7.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -47.52 -53.49 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.99 -58.2 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 mm -56.93 -56.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -47.09 -36.86 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.8 -46.0 76.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.93 -41.26 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -103.11 31.91 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.43 -8.43 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.01 -31.68 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.57 166.88 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -87.28 119.49 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.4 mt -113.92 107.09 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -64.37 -46.47 83.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 t -171.34 152.89 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.8 138.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -118.6 103.51 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt -88.85 123.87 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.64 127.04 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -135.56 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.59 -178.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -110.03 -27.22 9.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.53 -65.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.2 p -69.97 -31.1 68.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.93 45.94 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -122.65 169.1 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -56.6 143.79 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -97.43 -49.57 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 140.97 -23.33 2.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -123.32 140.69 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.47 163.11 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -119.35 128.65 54.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.21 145.94 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -107.53 134.07 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.09 153.72 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.02 -66.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.448 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 13.2 p -80.41 -35.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.41 -48.95 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 m -52.58 -59.96 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.435 ' CD1' ' HB1' ' A' ' 43' ' ' ALA . 25.8 tp -51.43 -57.81 7.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -47.22 -37.56 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.02 -37.93 57.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.4 -16.52 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.24 -27.76 62.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -60.32 -18.12 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.32 -5.55 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -69.51 77.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.32 -9.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.8 159.71 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 mt -104.34 140.43 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.7 tp -111.88 89.95 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.24 -114.88 7.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.28 16.91 20.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -141.01 179.53 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -110.54 168.0 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.3 mt -116.87 145.46 43.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -134.06 99.26 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.97 132.89 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.7 156.71 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.51 127.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.825 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.571 0.7 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -70.06 126.19 12.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.3 p -69.84 -40.96 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -141.5 161.1 54.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.68 169.61 15.61 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.76 175.02 38.2 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.385 -0.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -122.26 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.2 m -95.33 129.17 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.61 145.58 47.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -104.06 130.87 51.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.83 123.01 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.23 -174.58 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.18 41.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.9 mt -102.41 150.95 38.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.61 146.94 7.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.88 -45.38 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.39 77.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.2 m -101.12 125.8 47.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.87 154.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -40.92 -42.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.01 38.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -49.16 -62.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.0 mm -50.29 -51.31 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -49.11 -39.31 27.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.56 -42.08 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 mt -58.45 -57.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -96.74 27.94 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -32.43 66.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -35.96 82.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.66 179.41 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -99.18 88.48 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 44.4 mt -77.7 126.58 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -90.83 -49.53 6.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -162.26 149.56 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.62 104.45 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -85.88 116.26 24.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -101.68 118.76 37.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.1 t -81.9 126.19 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -133.3 142.66 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -53.39 177.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -110.39 -23.31 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.87 -48.44 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -91.29 -33.61 15.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.61 45.2 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -120.07 148.9 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 41.4 t80 -48.96 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -46.63 -46.86 20.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.45 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 145.94 -29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -116.12 172.6 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.2 p -161.61 152.49 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -102.58 122.86 45.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.1 t -104.98 122.61 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -92.43 138.8 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.25 163.77 15.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -82.97 -65.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.13 175.27 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.73 -33.15 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.38 -46.69 73.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -55.96 -56.23 23.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.26 -61.2 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -46.98 -52.81 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -34.22 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.23 -21.09 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.8 mt -72.51 -12.82 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -86.5 -26.32 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.78 -17.25 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.57 101.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.72 -17.89 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.27 172.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -111.65 131.25 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.2 tp -100.78 90.67 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.28 -113.68 5.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.97 12.17 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -136.03 -179.52 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -107.58 163.43 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.8 mt -108.79 140.89 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -134.62 99.59 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 t -113.05 122.46 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -135.96 150.91 49.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.91 129.32 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -45.14 133.35 11.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.396 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.1 p -78.69 -29.35 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -149.28 152.54 36.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 39.3 Cg_endo -68.08 169.55 16.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.83 175.59 36.19 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.36 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.0 m-85 -123.11 111.09 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 m -109.71 147.02 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.7 148.4 49.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.6 t80 -99.48 129.53 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -132.13 109.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.11 -179.66 17.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.91 51.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.52 144.09 29.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.98 164.71 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -70.02 -36.12 74.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.09 46.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -106.76 136.93 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.56 171.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -41.06 -55.18 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -50.41 -61.54 5.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 7.2 t0 -35.32 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -50.65 -39.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 24.4 t70 -56.82 -38.68 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.27 63.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.53 -41.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -113.84 32.93 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.37 -18.55 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.64 -38.29 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.82 -177.57 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -96.96 113.91 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 94.3 mt -103.68 114.44 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -81.14 -58.13 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 t -157.12 148.32 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.9 t -120.69 104.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -88.9 101.06 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 84' ' ' CYS . 26.7 mt -83.73 117.57 23.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.81 149.25 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 173.47 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' CG ' ' HD3' ' A' ' 81' ' ' LYS . 3.5 m-20 -81.22 176.73 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -98.18 -28.37 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -99.83 -55.43 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.1 p -77.58 -29.61 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.99 48.51 20.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' PHE . 16.5 mtpt -123.88 137.23 54.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LYS . 22.6 t80 -34.82 111.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HD3' ' CG ' ' A' ' 74' ' ' ASP . 2.9 mmmp? -60.01 -43.9 94.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.423 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 149.32 -27.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -116.68 153.95 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' CB ' HD22 ' A' ' 71' ' ' LEU . 22.0 p -149.19 156.62 42.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -103.99 122.21 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.59 126.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.72 154.88 17.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -129.97 166.39 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -70.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -99.49 -177.25 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.476 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 7.5 p -81.89 -30.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.42 -46.31 73.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -55.79 -50.12 71.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.46 -58.4 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -44.21 -43.0 6.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -70.43 -35.86 73.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.61 -20.27 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.01 -14.73 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.9 p -78.47 -27.89 46.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -57.87 -13.54 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.51 87.23 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 -7.91 2.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.76 168.78 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.13 132.57 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.05 96.45 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.54 -116.34 8.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.0 19.41 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -144.54 -175.11 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -112.56 -177.52 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.4 mt -130.27 147.41 51.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -132.41 102.85 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -115.1 120.57 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -139.06 158.55 43.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.84 110.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.813 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.614 0.721 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -45.63 131.13 12.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -73.35 -25.06 60.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.64 152.75 29.31 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.74 169.65 15.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.79 177.65 28.23 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -122.71 106.76 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 43' ' ' ALA . 62.1 m -118.71 142.64 47.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' N ' HG21 ' A' ' 42' ' ' THR . . . -123.04 143.42 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.61 134.83 34.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 t -132.45 125.33 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.55 -179.55 15.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER 69.46 39.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.8 mt -94.66 156.64 38.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -48.09 160.97 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -58.5 -50.46 73.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -108.6 76.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -100.89 126.39 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' GLN . 25.0 m -115.95 158.85 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' VAL . 32.2 tt0 -36.95 -50.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -43.2 -57.79 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -45.42 -68.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.339 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.7 mm -46.77 -54.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -27.37 3.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.64 -39.41 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.68 -43.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -107.93 29.05 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 10.2 ptmm? -51.66 -46.72 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 33.8 t70 -47.99 -49.07 31.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.13 172.16 12.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -100.04 88.78 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.5 mt -75.28 135.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -98.48 -47.43 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 t -154.74 153.14 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.16 115.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -98.16 112.74 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -99.29 115.1 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 73' ' ' ARG . 40.2 t -73.0 144.75 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' N ' HG11 ' A' ' 72' ' ' VAL . 59.2 mtt180 -147.98 161.24 41.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.14 -175.28 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -116.6 -39.59 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -43.94 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.5 p -95.67 -37.19 10.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 65.71 46.7 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -107.84 171.74 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 81' ' ' LYS . 49.0 t80 -77.11 91.47 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' PHE . 10.8 mmmt -35.97 -44.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.08 -13.47 6.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -126.54 145.86 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 p -147.37 155.7 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -104.3 125.68 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.533 HG13 ' CE1' ' A' ' 88' ' ' PHE . 87.0 t -104.51 122.47 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -91.32 159.53 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' HG13 ' A' ' 86' ' ' VAL . 83.1 m-85 -142.31 154.51 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -71.72 -47.54 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -118.4 176.5 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -79.59 -37.55 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -41.22 -56.48 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 20.0 m -48.15 -54.61 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 13.9 tp -56.3 -52.93 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -45.23 -37.47 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.34 -42.65 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.17 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.45 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 p -91.13 -10.95 40.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.42 1.5 37.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -77.46 46.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.72 -36.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.51 169.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.09 128.27 54.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.2 tp -105.65 94.01 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.98 -114.57 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -99.84 13.09 34.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -136.93 178.14 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 p -106.89 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.99 135.25 55.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -126.94 102.33 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -118.05 122.6 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.33 169.89 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.2 mt -87.57 120.48 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.78 156.59 64.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m -106.4 -38.31 6.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.09 153.91 75.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.467 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.76 169.57 15.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.85 168.5 67.59 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.21 102.04 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -109.8 148.18 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.24 145.19 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -97.58 141.61 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.7 t -139.52 123.55 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 -176.09 14.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.11 48.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.88 143.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.81 162.58 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.61 -36.62 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -85.92 47.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -105.2 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -114.59 154.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -37.67 -44.06 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.62 -59.15 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.61 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.411 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 26.7 mm -45.47 -49.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.73 -42.48 57.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.33 76.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 57' ' ' ILE . 62.7 mt -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -91.92 24.04 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -34.66 16.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -66.69 -38.53 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.5 mt -82.91 -179.29 7.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 m -97.7 125.37 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.26 111.49 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -83.57 -37.52 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -171.18 148.49 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.34 114.75 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -95.38 111.08 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 84' ' ' CYS . 36.9 mt -93.04 116.84 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.4 122.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -111.94 174.36 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.71 -179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -96.79 -20.66 18.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.18 -70.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -63.57 -24.52 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.53 39.84 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' PHE . 15.0 mmmt -121.62 157.96 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' LYS . 26.8 t80 -35.06 152.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -116.2 -39.37 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.62 -38.31 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -111.53 154.6 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' CB ' HD23 ' A' ' 71' ' ' LEU . 1.7 p -148.84 163.15 38.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -114.07 125.73 54.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.9 t -103.27 133.16 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.23 135.17 41.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 97.9 m-85 -116.38 154.29 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -66.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -100.99 173.44 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 92' ' ' ASP . 9.6 p -68.3 -48.79 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 91' ' ' VAL . 6.7 m-20 -36.44 -60.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 37.5 m -40.91 -53.25 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' LYS . 25.6 tp -60.78 -69.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LEU . 26.4 ttpt -35.68 -45.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -53.72 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.44 -38.47 43.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.17 -18.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.6 p -76.45 -36.86 57.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 102' ' ' GLY . 17.7 m-85 -47.82 -20.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.76 84.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' TYR . . . 144.97 -13.01 1.91 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.43 169.12 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -114.84 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.64 98.06 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.5 -116.76 9.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.09 18.48 17.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.344 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -142.02 174.42 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.6 m -101.03 179.04 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 mt -124.86 143.8 50.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -134.66 99.35 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.88 129.84 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.28 154.7 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.9 mt -70.91 112.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.818 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -46.31 134.97 15.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.1 p -87.58 -34.55 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -149.96 152.94 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.673 0.749 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 43.6 Cg_endo -70.28 169.29 19.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 164.59 78.74 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.372 -0.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.444 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 49.6 m-85 -106.77 122.08 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -120.91 138.94 53.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 94' ' ' LEU . . . -126.23 144.38 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.2 t80 -96.37 129.83 43.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.3 103.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.14 -174.95 18.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.84 47.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.24 144.04 34.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -48.97 160.66 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.74 -41.5 92.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.9 44.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 m -99.41 134.05 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.84 161.35 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -41.87 -43.33 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -52.64 -65.08 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -38.15 -51.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.5 mm -56.24 -56.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -41.73 -41.76 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.81 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -54.72 -38.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 64' ' ' LEU . 69.6 m-85 -111.46 30.65 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.42 -12.33 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.18 -25.45 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 HD12 ' CD1' ' A' ' 61' ' ' PHE . 33.5 mt -99.4 155.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -76.89 123.98 27.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.1 mt -119.08 108.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -79.62 -44.66 20.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -162.08 155.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.45 125.3 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -102.26 104.27 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 mt -84.32 104.83 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 83' ' ' PHE . 47.1 t -54.14 122.83 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -138.99 166.05 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.68 -177.34 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -95.22 -48.32 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.32 -64.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 71.7 p -65.95 -34.32 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' THR . 3.4 p30 49.01 39.35 14.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' PHE . 78.7 mttt -111.83 130.68 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LYS . 39.3 t80 -35.93 107.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -55.07 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.9 -28.2 0.13 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 72' ' ' VAL . 10.1 p90 -114.55 146.01 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 p -139.24 161.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -115.67 128.35 55.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.2 t -102.78 137.98 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.55 116.04 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 59.4 m-85 -97.13 137.84 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.21 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -97.55 177.16 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.444 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 7.2 p -81.03 -26.06 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.25 -45.79 92.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 4.8 m -52.36 -58.83 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 43' ' ' ALA . 14.7 tp -56.51 -52.18 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -48.5 -39.86 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.85 -45.22 64.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.04 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.44 -17.77 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -79.5 -23.61 42.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.36 -10.51 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 18.6 p-10 -70.0 93.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -9.87 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.6 158.36 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.86 148.83 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.9 tp -106.83 90.15 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.13 -110.42 3.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.09 16.09 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -140.58 -175.16 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -115.21 162.11 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 mt -112.77 144.42 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -130.94 99.23 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.03 131.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -157.83 148.77 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.89 123.08 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.838 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.43 131.6 22.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.75 2.3 . . . . 0.0 112.343 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -97.08 -12.1 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.73 144.55 18.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.2 Cg_endo -72.58 169.07 22.74 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.4 Cg_endo -69.77 172.88 46.99 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.328 -0.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -117.77 94.04 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.3 m -91.32 142.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.63 149.75 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -103.76 127.56 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.95 118.56 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.16 -176.32 14.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.72 52.13 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -112.81 143.44 29.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 54.5 Cg_exo -49.12 162.84 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.83 -42.51 90.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -82.69 44.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -106.19 122.95 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.69 176.77 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -41.19 -47.94 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.18 -61.27 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.7 t70 -35.14 -60.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.8 mm -54.21 -42.01 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' GLY . 32.2 t70 -56.25 -33.93 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.35 -36.55 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.55 -50.43 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -97.65 28.38 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -60.81 -11.3 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.13 -12.44 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.9 mt -111.66 163.51 14.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 p -85.26 92.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.8 mt -86.79 112.96 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -76.73 -43.67 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -172.66 155.7 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 70' ' ' ARG . 94.3 t -120.04 150.92 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' N ' HG13 ' A' ' 69' ' ' VAL . 47.8 ttt-85 -122.92 109.76 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.2 mt -103.86 129.34 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.2 t -101.28 159.08 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -148.46 146.31 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 4.0 t70 -62.48 -175.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.85 -70.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -34.08 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.9 p -104.72 -22.73 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 49.82 26.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -100.49 152.35 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -54.33 117.61 3.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 74' ' ' ASP . 7.3 mmmm -59.66 -67.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.44 33.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -162.63 155.98 20.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.2 p -161.14 147.9 14.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -98.11 121.81 40.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.4 122.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -93.68 135.34 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -108.88 177.72 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.44 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -104.18 153.37 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.68 -31.99 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -61.17 -46.61 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 m -50.9 -56.21 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.4 tp -59.0 -48.35 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -48.17 -41.27 26.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -72.01 -37.96 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.94 -18.48 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.62 -25.14 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 p -65.76 -14.38 61.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -79.55 2.07 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 14.7 p-10 -72.43 86.77 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.49 4.98 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 171.88 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.7 mt -119.18 128.92 54.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 tp -105.47 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.92 -115.07 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -99.29 18.53 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 49' ' ' PRO . 30.8 mtt180 -141.07 -176.35 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.6 p -110.67 177.75 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -124.24 138.95 54.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -125.06 100.76 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.9 127.63 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -152.23 158.15 42.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.92 124.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 114' ' ' ILE . 19.9 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.8 140.92 52.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 p -83.25 -37.04 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.32 155.18 75.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.467 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 37.1 Cg_endo -66.57 169.86 13.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.77 173.95 42.56 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.36 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.08 94.95 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -99.49 146.04 26.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.69 153.48 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -105.53 142.26 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -136.34 119.93 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.06 -175.28 17.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.89 54.61 8.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.8 mt -101.36 152.27 37.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.12 141.84 6.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -45.34 -46.36 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -109.81 79.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.2 m -105.32 144.09 32.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.0 m -136.55 154.62 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tt0 -36.44 -39.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.5 -45.91 93.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' VAL . 15.9 m-20 -52.87 -55.63 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.8 mm -54.76 -45.36 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -56.59 -34.44 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.08 59.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.42 -56.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -101.77 29.57 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -54.28 -24.47 19.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -27.73 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.3 mt -93.53 168.73 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 110.71 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -105.83 118.61 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -76.31 -44.99 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 t -174.67 150.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 70' ' ' ARG . 84.6 t -112.89 138.09 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 69' ' ' VAL . 37.7 mtp85 -105.17 112.87 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -102.35 133.27 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.4 t -109.03 153.45 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -141.46 174.38 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.08 176.79 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -105.4 -21.22 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -111.09 -68.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -24.99 67.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.2 t0 52.56 43.14 31.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -111.02 168.87 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -70.13 98.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -41.84 -59.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.14 25.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -155.98 147.73 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -158.14 160.09 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -111.77 134.96 52.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.36 135.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.73 143.38 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 47.8 m-85 -121.24 135.7 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -65.23 -62.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -100.1 173.0 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 14.4 p -72.87 -49.08 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 1.3 p30 -44.79 -40.65 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 69.1 m -53.82 -48.54 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.33 -47.98 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.448 ' HE3' ' N ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -49.68 -43.85 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.72 -37.94 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.405 ' CD1' HD23 ' A' ' 35' ' ' LEU . 53.0 mt -74.12 -17.27 60.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.3 p -76.16 -7.94 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -83.52 -1.61 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -76.61 66.28 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.24 32.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.0 128.51 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.65 128.54 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -100.42 90.32 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.47 -115.87 8.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -97.68 26.56 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -144.64 176.25 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -115.87 161.4 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -127.41 138.84 53.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -132.11 99.59 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 t -110.04 135.09 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -154.52 152.18 29.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' A' ' 35' ' ' LEU . 59.6 mt -71.39 113.7 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.2 149.09 63.6 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.7 p -96.05 -33.73 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -149.78 152.21 34.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.79 169.62 15.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.0 Cg_endo -69.82 151.15 91.32 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.358 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 68.5 m-85 -90.71 107.21 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 m -103.74 141.26 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.14 148.52 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -107.84 128.03 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.45 116.12 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.97 -179.7 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.5 40.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.59 152.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.73 165.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.09 -43.35 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.79 79.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.0 m -101.89 120.15 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.9 m -108.45 153.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' VAL . 17.1 tt0 -36.74 -49.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -44.71 -62.69 2.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.6 t70 -35.04 -54.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -57.23 -50.12 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.49 -37.12 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.06 53.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.99 -38.35 76.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 97' ' ' ALA . 62.1 m-85 -117.05 32.24 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -59.77 -48.87 79.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.43 -39.52 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.15 177.96 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -109.51 108.68 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.33 117.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -73.72 -41.55 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -163.68 166.94 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.52 125.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -111.32 117.3 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.1 mt -99.93 131.14 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -85.85 111.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -97.76 172.21 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.75 -178.36 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -107.25 -39.89 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.6 p -72.03 -27.69 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 63.54 34.36 12.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -109.2 160.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -46.73 124.09 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -68.61 -71.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.12 -23.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -130.55 147.37 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.5 p -143.68 166.65 24.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -113.99 127.74 56.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.65 137.01 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.17 128.06 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 61.3 m-85 -106.54 154.38 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -81.88 -47.88 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -118.99 157.68 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 10.7 p -60.9 -33.26 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' A' ' 93' ' ' SER . 0.6 OUTLIER -51.01 -54.04 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 92' ' ' ASP . 19.0 m -48.34 -58.06 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.22 -56.49 21.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -45.99 -37.34 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.79 -39.56 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 61' ' ' PHE . . . -66.92 -21.48 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.24 -15.33 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -81.19 -8.96 59.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -76.65 -6.06 50.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -75.5 105.61 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.19 -17.16 7.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.29 155.7 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.4 137.05 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.7 tp -112.63 94.92 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.68 -116.14 7.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.96 14.39 30.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -142.67 175.85 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -100.26 178.82 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 mt -124.06 146.08 48.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -132.9 102.64 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.88 113.5 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.25 157.29 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.87 127.61 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.19 159.04 54.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.7 m -112.26 -38.23 4.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -127.52 139.59 35.65 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.455 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.9 Cg_endo -77.14 168.86 22.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.75 179.8 21.27 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.346 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 7.7 m-85 -119.88 127.04 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.8 m -118.58 125.15 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.37 142.1 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.6 133.82 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -133.25 130.61 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.93 -178.78 15.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 40.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.2 mt -97.03 156.34 36.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.39 164.24 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -58.05 -46.89 84.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 15.2 p-10 -106.31 74.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -96.51 122.53 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.16 167.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -45.98 -54.85 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.95 8.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -37.85 -50.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.0 -53.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.7 -32.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.33 -46.44 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.83 -54.1 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.53 31.83 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.7 -35.93 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.71 -41.08 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.6 mt -76.86 178.35 6.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -97.64 97.26 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -91.05 122.33 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -91.83 -60.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 76.2 p -147.06 131.65 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.56 116.32 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -103.26 108.43 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 84' ' ' CYS . 25.5 mt -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.402 HG22 ' CD2' ' A' ' 83' ' ' PHE . 42.9 t -65.4 138.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -144.85 173.7 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -86.87 -177.98 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -107.71 -24.08 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.56 -68.26 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.3 p -70.16 -42.25 72.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 72.78 40.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -113.46 169.58 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -61.73 132.67 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -85.12 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.14 -32.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.402 ' CD2' HG22 ' A' ' 72' ' ' VAL . 33.8 p90 -117.39 164.0 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.418 ' CB ' HD23 ' A' ' 71' ' ' LEU . 18.9 p -158.79 149.3 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -98.3 121.37 40.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.78 119.66 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -87.25 133.82 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 83.5 m-85 -111.89 173.36 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.09 -68.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -91.97 153.37 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.51 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -45.55 77.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 3.6 m -52.78 -59.78 4.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.68 -56.92 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -47.67 -32.2 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -78.6 -48.76 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.34 -36.17 52.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.5 mt -52.51 -22.78 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.1 p -77.07 -35.39 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -52.38 -16.78 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.5 90.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.47 -18.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.0 175.07 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -111.45 132.38 54.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 tp -104.6 93.94 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.0 8.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.49 22.05 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -148.5 -178.93 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -103.93 176.73 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.7 mt -118.5 142.79 47.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -134.51 101.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.87 130.95 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -155.64 151.27 27.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.67 139.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.766 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.628 0.728 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 66.0 Cg_exo -46.85 132.54 17.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -67.86 -45.57 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -151.2 156.98 35.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.726 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.462 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.65 169.63 15.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.0 Cg_endo -69.72 145.74 80.17 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.361 -0.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.52 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.5 m-85 -92.88 106.67 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.59 138.1 54.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 3.3 t80 -99.37 139.32 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.23 127.07 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.77 -174.43 14.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.36 45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 mt -103.56 150.38 38.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.16 162.81 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.4 -39.59 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -110.39 73.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -97.05 129.21 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.1 m -117.83 150.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.3 tt0 -37.26 -49.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.62 -61.71 4.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.6 t70 -37.49 -58.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.57 -49.93 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -50.29 -31.3 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.46 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.77 -57.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -94.74 26.26 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.43 -34.85 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.17 -40.61 94.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.25 167.37 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 m -85.5 108.51 17.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.2 125.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -89.29 -50.4 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -164.6 147.37 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -113.32 108.07 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.9 mt -96.84 148.46 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 73' ' ' ARG . 58.4 t -104.58 142.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' HG13 ' A' ' 72' ' ' VAL . 6.6 mmt85 -134.62 153.26 52.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.72 178.65 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.82 -39.89 10.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.13 -70.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 p -66.2 -16.15 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 42.75 46.82 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -120.95 169.4 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.415 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 31.1 t80 -50.93 143.83 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -94.3 -55.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 151.12 -15.54 0.88 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -132.77 145.67 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 p -144.28 166.01 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 85' ' ' TYR . 2.7 m-85 -120.84 127.41 51.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -101.98 139.06 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -102.01 135.97 42.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -120.64 157.99 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.97 -68.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -92.2 162.61 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 4.4 p -71.98 -26.48 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -56.36 -51.64 67.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 m -48.73 -59.07 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.51 -58.1 9.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -40.86 -39.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -77.06 -48.81 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.94 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.85 -28.21 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.0 p -62.02 -16.21 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.22 -0.16 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -73.74 81.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.04 -4.11 2.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.83 168.15 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -114.06 133.54 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.6 tp -109.9 95.15 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.99 -118.07 13.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.14 25.18 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -148.22 -179.34 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 t -111.28 170.1 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.96 139.56 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -128.77 99.67 5.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.75 127.78 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -152.07 162.95 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -76.34 128.79 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.86 153.52 68.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 p -100.97 -14.95 17.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -165.05 156.32 12.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.9 Cg_endo -67.73 169.62 15.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.71 162.16 84.56 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.327 -0.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.94 99.22 8.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -112.03 139.01 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 94' ' ' LEU . . . -124.31 140.8 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.38 129.23 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.73 110.98 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.89 -172.48 17.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.548 ' ND2' ' NH2' ' A' ' 108' ' ' ARG . 0.3 OUTLIER 61.59 49.98 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 mt -111.39 155.65 42.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.21 156.09 4.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -63.08 -27.19 69.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.28 67.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -100.24 117.25 34.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLN . 11.5 m -109.42 153.6 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' VAL . 31.4 tt0 -34.85 -64.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -38.52 -57.96 1.79 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.424 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -35.81 -64.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 26.5 mm -52.13 -50.25 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -48.3 -34.71 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 -38.98 49.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 57' ' ' ILE . 45.5 mt -56.8 -43.67 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.47 34.12 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -58.58 -23.3 58.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.43 -41.94 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.47 176.16 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -98.67 117.71 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.1 mt -103.33 115.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -74.91 -51.42 13.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 m -158.62 143.8 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.62 131.36 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -118.59 107.64 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -88.1 107.29 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.507 HG11 ' CE2' ' A' ' 83' ' ' PHE . 19.5 t -60.95 135.02 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -148.55 -179.17 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.88 -178.86 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -87.86 -58.78 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.51 -64.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 60.7 p -65.56 -31.22 72.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 77' ' ' THR . 5.9 p-10 45.46 46.96 10.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -105.03 143.29 33.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -44.24 103.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -62.09 -39.18 91.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 -34.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.507 ' CE2' HG11 ' A' ' 72' ' ' VAL . 31.4 p90 -114.98 166.18 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -158.66 162.17 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -112.38 126.21 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.519 HG11 ' CE1' ' A' ' 88' ' ' PHE . 20.9 t -102.71 138.61 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -111.27 127.49 55.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 86' ' ' VAL . 51.0 m-85 -107.13 170.83 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -84.08 -53.13 5.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.27 170.67 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.97 -23.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.71 -62.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.507 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 13.7 m -43.61 -60.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD1' ' HB1' ' A' ' 43' ' ' ALA . 17.4 tp -49.15 -48.29 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -52.59 -39.74 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -80.28 -29.67 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.83 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.59 -25.75 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -4.49 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -90.27 0.53 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -77.64 47.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.17 -32.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.83 159.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.02 128.5 53.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -107.42 103.23 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.69 -118.51 14.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -98.59 21.25 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.548 ' NH2' ' ND2' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -147.16 -178.78 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.7 m -110.59 174.95 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.99 141.61 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -127.71 103.48 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.64 133.8 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.24 163.59 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.2 140.27 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 21.5 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.45 145.22 64.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -108.69 34.0 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.55 139.01 0.79 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.0 Cg_endo -79.9 168.73 18.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.74 -179.88 20.38 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.313 -0.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 91' ' ' VAL . 98.1 m-85 -111.6 110.64 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 m -109.34 145.68 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -137.59 135.01 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -92.09 136.75 32.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.5 121.09 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.54 -175.92 14.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 42.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -104.19 152.67 39.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.723 . . . . 0.0 110.962 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -46.33 153.38 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -54.85 -45.15 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -104.86 74.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.4 m -106.93 133.79 51.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 m -119.32 167.53 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.76 -50.05 18.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.87 -58.51 4.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -41.66 -58.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.56 -52.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -47.35 -34.03 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 -43.02 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.94 -45.77 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -109.44 33.58 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 63' ' ' ASP . 21.0 pttm -58.63 -51.41 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 21.2 m-20 -49.83 -38.4 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.39 172.84 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -100.26 85.14 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.6 104.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -44.65 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -169.54 145.28 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.52 132.11 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -115.38 107.09 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -96.49 110.68 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.19 144.3 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -142.73 145.69 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.37 174.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -105.58 -0.34 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.68 -64.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 p -86.68 -25.18 24.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.73 42.97 10.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -113.05 168.7 9.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.12 114.78 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -66.59 -31.89 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.06 12.14 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.32 142.0 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.4 p -145.82 169.63 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -115.87 135.18 54.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.99 133.29 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.89 138.26 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -120.03 140.11 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.03 -68.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -109.47 172.91 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 41' ' ' TYR . 9.8 p -67.31 -33.68 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -46.4 -60.19 2.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -53.81 -61.08 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 9.6 tp -42.88 -49.01 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -59.16 -51.74 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.55 -23.64 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.74 -28.57 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 55.4 mt -66.43 -8.79 28.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.9 p -86.43 -16.04 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.76 -13.56 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 11.0 p-10 -58.35 90.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.93 -7.01 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.4 162.34 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -110.69 131.97 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.45 99.72 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.26 -114.42 6.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.85 24.66 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -149.27 179.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 m -108.16 -179.36 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 mt -123.6 144.24 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.98 100.66 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.52 131.15 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.45 154.84 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.27 116.43 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' HD12 ' A' ' 98' ' ' LEU . 45.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 54.2 Cg_exo -49.21 147.06 12.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -102.27 -26.42 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 6.5 tp10 -145.83 140.48 15.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.456 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.7 Cg_endo -72.58 169.06 22.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.78 178.82 24.18 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.331 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 47.7 m-85 -120.79 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -110.24 133.58 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.92 145.84 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -106.47 120.48 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.01 112.7 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.57 -172.46 17.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.04 41.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -104.52 153.29 39.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.5 157.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 51' ' ' ASN . 16.5 p90 -51.43 -41.96 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 7.5 t-20 -116.99 80.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.1 m -106.31 139.71 40.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.47 156.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.461 ' CB ' HG12 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -53.46 -21.78 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.66 -61.13 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.61 -58.24 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -51.38 -41.22 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.03 -42.86 77.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.46 -45.98 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.08 -41.8 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 97' ' ' ALA . 34.6 m-85 -106.56 26.33 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -55.68 -26.3 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.39 -38.19 71.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.5 mt -84.82 157.65 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.6 m -83.87 87.65 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 67' ' ' ARG . 47.3 mt -67.03 141.09 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 66' ' ' ILE . 25.9 ttt85 -98.38 -49.25 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.3 p -168.32 156.21 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 54' ' ' GLN . 57.7 t -119.75 129.71 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -120.28 112.32 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.63 119.97 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 73' ' ' ARG . 72.7 t -81.93 139.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' N ' HG13 ' A' ' 72' ' ' VAL . 80.7 mtt180 -135.28 153.1 52.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.76 -177.22 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -109.12 -26.2 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -80.4 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -93.5 -16.7 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.4 t0 49.07 45.05 23.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -116.72 152.18 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.559 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 39.0 t80 -44.4 121.79 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -69.83 -38.46 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 134.82 -9.04 4.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -136.47 152.1 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.37 158.59 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -106.48 114.41 28.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 88' ' ' PHE . 66.0 t -102.76 127.6 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -99.63 156.96 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CE1' HG11 ' A' ' 86' ' ' VAL . 47.9 m-85 -133.58 155.38 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.55 -70.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -95.44 166.8 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.32 -49.01 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -38.7 -50.9 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -45.25 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.0 -52.5 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -39.47 -34.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.3 -48.7 10.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . . . -52.39 -23.67 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' A' ' 35' ' ' LEU . 81.8 mt -60.68 -26.83 67.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASP . 35.6 p -66.56 -38.46 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -42.93 -23.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 13.5 p-10 -60.01 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.56 -9.96 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.28 166.27 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -105.85 133.37 50.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -109.89 94.22 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.47 -118.12 12.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -97.36 21.7 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -145.51 -177.21 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -108.28 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.0 mt -114.74 137.59 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -134.51 102.17 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 t -119.93 135.32 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.07 164.39 38.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.2 mt -77.05 117.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.846 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' CD2' HD12 ' A' ' 98' ' ' LEU . 27.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.581 0.705 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.96 135.11 31.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -82.0 -25.73 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.24 161.44 29.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.474 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.3 Cg_exo -59.66 166.87 7.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.1 Cg_endo -69.73 153.13 92.79 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.367 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 21.2 m-85 -108.02 86.21 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -103.97 144.94 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -127.05 153.88 45.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -109.41 116.55 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.46 108.36 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.98 -178.38 19.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.52 45.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.74 144.06 29.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.81 164.72 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -71.11 -41.75 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -82.1 49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -107.82 136.07 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' GLN . 23.2 m -135.7 163.92 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.0 tt0 -37.17 -45.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.89 -62.81 5.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLY . 5.0 m-20 -35.55 -49.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.68 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -41.69 -30.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.48 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.71 -37.64 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -109.9 29.51 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -61.97 -14.58 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -3.16 59.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.3 mt -122.05 143.65 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -71.15 101.5 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -90.68 133.85 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -94.45 -40.46 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 t -174.36 148.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 70' ' ' ARG . 60.8 t -116.82 138.13 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 69' ' ' VAL . 10.4 mmt85 -114.68 104.1 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.55 144.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -137.54 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.52 179.65 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -111.81 -29.46 7.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.1 -67.46 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -84.54 -28.06 26.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 69.79 47.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -120.52 157.49 29.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -55.16 129.96 40.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -80.42 -41.69 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.44 24.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 4.9 p90 -162.48 143.97 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 29.7 p -154.09 163.54 39.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -105.59 134.11 49.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.2 t -111.15 122.37 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -91.43 114.57 27.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.11 172.89 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.58 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -105.78 151.78 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.418 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 8.8 p -53.11 -22.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.83 -45.96 76.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -55.88 -44.02 77.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 43' ' ' ALA . 12.5 tp -68.76 -43.37 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -50.83 -43.97 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -71.54 -44.8 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.93 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 35' ' ' LEU . 42.4 mt -68.75 -14.72 63.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 p -83.7 -12.87 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -75.18 -5.87 46.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.56 95.02 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.17 -11.11 4.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.03 166.32 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.56 132.98 53.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 tp -109.55 98.73 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.25 -118.28 10.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -98.54 17.98 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.313 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -142.16 -176.11 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.7 m -108.08 175.67 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.8 mt -119.63 143.02 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 99.61 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.5 t -114.5 107.87 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -131.3 157.74 42.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 115' ' ' ALA . 33.3 mt -62.43 140.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 114' ' ' ILE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.596 0.712 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.37 146.17 67.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -102.79 -25.34 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 7.9 tp10 -132.39 140.28 37.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.481 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 50.4 Cg_endo -72.64 168.98 23.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.75 -179.16 18.4 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.32 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 31.9 m-85 -124.28 109.35 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -110.76 145.29 38.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.1 151.45 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.9 t80 -101.01 132.44 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.23 125.78 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.43 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.83 38.1 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.7 mt -93.65 154.66 41.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.712 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.11 155.26 1.02 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -50.94 -38.52 50.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -118.04 76.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.0 m -98.93 98.97 9.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.5 m -89.41 157.57 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.2 tp60 -35.86 -49.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.06 -61.14 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.554 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -34.89 -64.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -47.1 -52.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.38 -45.97 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.84 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.0 mt -51.21 -54.9 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -105.46 33.8 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 14.5 pttp -57.3 -44.29 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 18.7 m-20 -57.98 -40.24 80.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.4 mt -76.53 174.46 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -97.75 100.76 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.4 mt -90.81 108.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.86 -50.57 64.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -166.94 155.89 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.415 ' HB ' ' CD ' ' A' ' 54' ' ' GLN . 98.3 t -121.48 133.91 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -123.12 108.89 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 84' ' ' CYS . 37.7 mt -93.58 148.86 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.39 142.54 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 73' ' ' ARG . 26.3 mtm105 -135.14 166.14 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.57 162.59 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -95.35 -1.6 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.2 -39.5 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.418 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 62.8 p -106.93 -38.02 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 77' ' ' THR . 0.5 OUTLIER 69.55 38.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -119.49 146.33 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.568 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 32.2 t80 -42.78 123.53 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -74.96 -37.02 62.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.39 8.77 3.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -153.54 141.54 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.439 ' CB ' HD23 ' A' ' 71' ' ' LEU . 30.0 p -147.63 172.96 13.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.16 125.27 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -110.37 123.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -92.98 152.88 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 95.9 m-85 -130.3 157.75 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.47 -66.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -105.96 174.23 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.25 -43.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.23 -59.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.4 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 58.4 m -42.32 -44.19 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.94 -58.3 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -43.01 -30.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -85.47 -41.81 15.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.43 -15.31 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.91 -35.11 67.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.3 p -66.07 -9.7 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -85.21 1.89 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 3.5 p-10 -81.76 48.36 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.54 -39.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.1 174.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -113.99 129.59 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.5 tp -106.08 97.18 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.61 -113.4 5.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.81 24.05 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -151.54 -175.68 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -113.88 167.78 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.59 140.25 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -132.17 100.42 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.6 111.26 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -122.31 154.88 37.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.9 117.79 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.745 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.62 0.724 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -48.07 132.14 22.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.2 m -86.24 -40.71 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -134.79 153.18 78.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.8 Cg_endo -75.55 168.87 23.55 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.76 -179.03 18.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.376 -0.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -121.02 103.48 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 m -103.29 144.83 30.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -129.24 145.45 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 4.8 t80 -99.05 136.04 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 HG22 ' C ' ' A' ' 44' ' ' TYR . 14.6 t -134.67 114.68 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.44 178.23 16.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.07 43.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.52 143.06 27.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.21 164.75 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.28 -34.57 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -89.41 48.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 m -109.55 121.11 44.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.35 168.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -43.16 -59.63 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -42.91 -62.67 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.4 t70 -36.07 -52.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.0 mm -62.32 -45.29 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -51.78 -30.17 21.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.88 -47.24 15.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -49.66 -47.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.19 34.62 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -60.26 -32.43 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.51 -41.98 92.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.08 163.19 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.3 p -82.8 101.57 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.21 114.25 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -78.39 -64.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -149.57 136.88 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.4 t -106.85 117.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -103.14 122.28 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.41 108.96 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -52.56 154.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 78' ' ' ASP . 10.4 ttm-85 -155.7 143.91 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CB ' ' OG1' ' A' ' 77' ' ' THR . 4.6 m-20 -58.22 168.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -90.04 -26.51 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.69 -53.31 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 74' ' ' ASP . 58.6 p -71.38 -19.1 62.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 73' ' ' ARG . 5.5 p-10 37.44 52.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -125.55 150.63 47.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -51.76 113.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -56.37 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.05 -25.41 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -120.06 170.95 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.74 158.93 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 96.1 m-85 -107.76 121.32 44.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.18 123.44 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -93.39 145.26 24.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 88.0 m-85 -119.22 157.22 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.57 -58.65 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -105.36 168.55 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.95 -32.87 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' SER . 2.9 t0 -54.43 -62.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.538 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 22.8 m -37.77 -53.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 43' ' ' ALA . 15.3 tp -60.42 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -45.63 -45.91 14.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.06 -47.55 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.78 -28.1 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.38 -25.15 64.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 101' ' ' ASP . 21.3 p -74.76 -40.14 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -45.81 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 17.9 p-10 -58.38 92.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -14.18 3.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.33 166.11 17.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.01 133.56 53.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -102.78 90.02 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.82 -111.31 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -99.16 12.58 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -136.59 -177.69 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -113.92 167.43 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.2 mt -114.51 140.36 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -134.48 99.16 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.69 136.77 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.63 158.39 44.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.79 111.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.33 117.29 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 p -45.73 -38.95 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -146.51 155.27 49.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.458 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.58 169.7 15.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.68 159.77 88.88 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.75 83.89 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -95.53 153.07 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.47 151.91 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -101.82 128.18 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.35 110.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.61 -174.02 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.19 48.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.8 mt -123.18 142.7 39.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -49.03 159.16 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -71.01 -6.38 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -96.36 8.71 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -86.6 121.68 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.11 170.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -41.16 -51.19 3.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.5 -44.12 45.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.92 -63.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mm -44.77 -47.08 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.11 -40.81 90.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -65.9 -39.95 91.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.36 -58.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.49 27.69 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 59' ' ' ALA . 18.6 ptmt -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.33 -37.51 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.52 -175.31 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -102.82 107.48 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.01 104.81 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -64.1 -49.58 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -163.41 157.53 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.52 131.35 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtm-85 -111.89 105.8 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.9 mt -90.07 134.56 34.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.2 t -99.91 126.89 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.35 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.6 -175.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -107.49 -44.97 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.19 -52.6 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.5 p -88.7 -32.58 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 64.46 36.31 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -100.3 152.06 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.02 114.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -48.28 82.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -121.36 148.93 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.4 p -147.25 177.7 8.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.28 126.36 43.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.3 t -105.87 134.62 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -97.75 145.98 25.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -126.0 132.03 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.36 -53.27 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -112.63 150.33 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.4 p -58.66 -37.34 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -43.87 -63.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m -43.36 -61.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.02 -60.97 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.3 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.53 -36.21 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -15.13 62.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -78.69 -24.28 45.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.8 p -59.23 -21.81 60.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.99 -2.23 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 17.3 p-10 -71.01 98.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.32 -3.31 11.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 165.34 15.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.92 134.37 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.6 tp -108.38 93.24 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.74 -114.56 6.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.528 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -100.03 20.95 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -145.19 -177.74 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -110.67 171.99 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.69 143.5 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 101.96 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -116.34 130.96 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.71 163.21 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 85.4 mt -84.68 118.91 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 98' ' ' LEU . 26.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.605 0.716 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.9 123.24 9.55 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.3 m -99.8 38.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -175.13 140.98 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.675 0.75 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.4 Cg_endo -80.04 168.83 18.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.392 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -104.39 106.43 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 43' ' ' ALA . 25.3 m -108.45 142.99 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' N ' HG23 ' A' ' 42' ' ' THR . . . -126.99 154.44 44.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.4 t80 -113.04 136.91 52.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.87 124.83 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.86 -177.2 14.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.32 48.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.73 144.0 31.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -48.48 155.65 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' A' ' 51' ' ' ASN . 38.3 p90 -70.57 -4.35 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 68.8 m-20 -120.7 39.31 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.8 m -96.11 131.14 42.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.66 168.52 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -46.18 -47.1 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.82 -64.89 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.38 -57.86 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.0 mm -50.37 -61.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -41.36 -43.81 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.73 62.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.3 mt -48.55 -53.82 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.439 ' HB2' ' CD1' ' A' ' 66' ' ' ILE . 31.2 m-85 -101.04 30.07 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -55.04 -51.15 67.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.66 -40.03 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.58 160.88 29.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -91.2 82.21 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 61' ' ' PHE . 90.3 mt -72.39 112.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -63.66 -46.51 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -173.92 140.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.81 124.77 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -107.89 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.4 mt -103.7 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 73' ' ' ARG . 24.0 t -76.7 144.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' HG13 ' A' ' 72' ' ' VAL . 78.5 mtt85 -140.78 150.33 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.75 172.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -95.86 -38.45 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.25 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.7 p -60.6 -20.73 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.77 35.16 11.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -101.37 167.48 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.43 137.35 53.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -81.0 -68.15 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.78 -24.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.52 149.07 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.01 156.37 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -111.98 127.97 56.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.53 119.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -88.47 160.31 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 92.8 m-85 -141.5 176.7 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.66 -49.57 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -110.88 175.44 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 3.9 p -80.2 -42.21 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 3.4 p30 -44.14 -42.53 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.454 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 62.1 m -58.26 -60.89 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.8 tp -53.34 -48.09 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -54.28 -48.91 70.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.82 -26.95 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.62 -30.54 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -66.01 -11.11 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -79.8 -31.07 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.89 -16.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.39 95.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.89 -14.21 4.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.45 164.73 20.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.87 90.11 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.85 -110.89 3.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -99.83 5.78 45.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -130.44 -176.89 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 p -114.66 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.98 140.6 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -128.33 99.66 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.61 118.36 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -139.12 165.73 26.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -66.64 126.13 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.4 m -64.99 170.24 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.5 p -143.35 148.28 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.2 -141.48 9.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -128.93 126.85 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -100.71 139.87 35.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.2 -89.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.08 152.84 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -119.87 93.26 4.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.6 mt -43.37 150.59 0.49 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -48.09 157.04 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.3 m -94.2 -34.48 12.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -148.01 156.6 43.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.653 0.739 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.466 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.7 169.6 15.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.72 156.98 92.42 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.352 -0.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.506 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 76.5 m-85 -98.72 84.84 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -77.61 141.92 39.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -135.23 144.72 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -103.01 131.57 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.88 109.39 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.11 -176.76 19.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.26 40.7 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.42 144.19 28.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -48.61 159.99 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -67.61 -44.0 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -85.02 54.61 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.9 m -109.49 127.9 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' GLN . 29.8 m -131.77 162.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' VAL . 23.9 mt-30 -35.86 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.7 -61.15 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.64 -53.02 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.6 mm -52.62 -49.48 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.94 -48.82 60.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.99 76.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.16 -56.53 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -100.94 33.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 22.9 pttm -58.88 -53.43 58.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 2.4 m-20 -45.36 -32.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.0 mt -87.66 -179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -112.52 106.47 14.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 53.7 mt -95.52 115.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -73.2 -50.84 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 t -150.33 161.99 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -136.69 141.96 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -126.63 115.81 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD22 ' CB ' ' A' ' 84' ' ' CYS . 50.9 mt -102.57 153.4 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 83' ' ' PHE . 91.0 t -104.78 148.61 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.416 ' N ' HG13 ' A' ' 72' ' ' VAL . 56.8 mtt180 -152.39 144.44 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.08 167.94 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.53 -31.44 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -85.36 -70.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.7 p -62.32 -46.86 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t70 74.1 40.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -130.47 149.69 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -39.25 127.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -78.67 -42.09 29.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.63 -12.42 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.553 ' CD1' HG23 ' A' ' 72' ' ' VAL . 37.1 p90 -126.97 145.2 50.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.432 ' CB ' HD22 ' A' ' 71' ' ' LEU . 28.2 p -150.05 159.03 44.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.87 125.38 53.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.29 138.09 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.59 144.0 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 98.8 m-85 -124.41 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.78 -71.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -101.49 172.18 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.506 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 4.9 p -67.81 -35.19 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.09 -56.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 2.2 m -50.84 -52.94 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.31 -55.58 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.47 -48.28 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.87 -34.83 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.77 -19.69 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.55 -13.52 60.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -80.79 5.46 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -97.12 0.91 49.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -74.58 81.81 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.92 -13.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.95 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.77 133.71 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.1 tp -107.54 94.96 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.56 -114.48 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -98.59 22.09 10.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -147.41 178.45 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -110.17 172.68 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.13 146.86 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.33 100.84 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -114.88 123.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.33 155.49 42.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.78 115.36 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.86 73.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.81 164.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.1 153.14 23.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.525 ' NE ' ' N ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -50.26 166.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.856 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -118.58 112.24 19.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -108.76 118.84 37.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -148.09 174.16 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -62.83 158.96 17.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 p -88.0 -3.45 58.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.36 86.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.92 93.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.325 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' SER . 49.4 m -84.51 -48.39 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 126' ' ' SER . 9.4 m -36.54 118.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -154.51 145.44 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -138.78 111.13 7.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 -162.46 9.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 p -131.31 133.86 45.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 p -138.94 125.75 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.88 120.54 3.16 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -45.24 169.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.02 157.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.7 mt -135.23 153.82 78.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.738 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.15 131.24 17.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 t -82.64 -31.43 28.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -145.79 149.26 39.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.463 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.4 Cg_endo -67.72 169.65 15.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 177.91 27.16 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 -0.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.448 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 50.3 m-85 -119.44 116.29 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.3 m -106.95 140.23 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 94' ' ' LEU . . . -128.6 147.46 50.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.9 t80 -106.42 126.49 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.93 110.14 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.83 -175.06 15.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.1 51.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.7 mt -116.85 144.09 32.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.89 166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -72.74 -20.48 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -101.72 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.3 m -110.0 135.17 51.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.28 175.69 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.36 -55.18 7.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -47.52 -53.49 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.99 -58.2 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.1 mm -56.93 -56.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -47.09 -36.86 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.8 -46.0 76.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.93 -41.26 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -103.11 31.91 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.43 -8.43 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.01 -31.68 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.7 mt -95.57 166.88 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -87.28 119.49 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 86.4 mt -113.92 107.09 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -64.37 -46.47 83.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 t -171.34 152.89 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.8 138.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -118.6 103.51 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.2 mt -88.85 123.87 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 67.4 t -80.64 127.04 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -135.56 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.59 -178.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -110.03 -27.22 9.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.53 -65.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.2 p -69.97 -31.1 68.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.93 45.94 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -122.65 169.1 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -56.6 143.79 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -97.43 -49.57 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 140.97 -23.33 2.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -123.32 140.69 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 11.7 p -145.47 163.11 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -119.35 128.65 54.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.21 145.94 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -107.53 134.07 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.09 153.72 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.02 -66.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.448 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 13.2 p -80.41 -35.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.41 -48.95 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 m -52.58 -59.96 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.435 ' CD1' ' HB1' ' A' ' 43' ' ' ALA . 25.8 tp -51.43 -57.81 7.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -47.22 -37.56 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.02 -37.93 57.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.4 -16.52 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.24 -27.76 62.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -60.32 -18.12 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.32 -5.55 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -69.51 77.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.32 -9.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.8 159.71 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 mt -104.34 140.43 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.7 tp -111.88 89.95 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.24 -114.88 7.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.28 16.91 20.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -141.01 179.53 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -110.54 168.0 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.3 mt -116.87 145.46 43.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -134.06 99.26 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.97 132.89 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.7 156.71 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.51 127.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.71 92.72 3.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -65.06 145.38 56.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -91.62 -98.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -144.76 113.02 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -47.97 121.97 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -102.1 133.89 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -37.8 144.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.04 160.29 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -61.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.98 158.11 30.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.58 146.48 26.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 82.7 p -120.39 160.86 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.0 m -89.02 93.03 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.0 p -128.95 130.49 46.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -68.41 138.19 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.97 -139.23 9.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m -82.98 98.34 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -38.57 -33.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.57 77.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -49.08 166.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.303 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -82.86 132.79 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 91.6 mt -120.79 154.81 57.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.571 0.7 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -70.06 126.19 12.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.3 p -69.84 -40.96 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -141.5 161.1 54.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.468 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.68 169.61 15.61 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.76 175.02 38.2 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.385 -0.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -122.26 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.2 m -95.33 129.17 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -120.61 145.58 47.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -104.06 130.87 51.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.83 123.01 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.23 -174.58 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.18 41.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 77.9 mt -102.41 150.95 38.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.61 146.94 7.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.88 -45.38 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.39 77.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.2 m -101.12 125.8 47.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.87 154.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -40.92 -42.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.01 38.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -49.16 -62.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.0 mm -50.29 -51.31 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -49.11 -39.31 27.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.56 -42.08 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 46.4 mt -58.45 -57.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -96.74 27.94 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -32.43 66.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -35.96 82.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.66 179.41 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -99.18 88.48 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 44.4 mt -77.7 126.58 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -90.83 -49.53 6.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -162.26 149.56 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.62 104.45 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -85.88 116.26 24.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -101.68 118.76 37.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.1 t -81.9 126.19 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -133.3 142.66 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -53.39 177.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -110.39 -23.31 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.87 -48.44 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -91.29 -33.61 15.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.61 45.2 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -120.07 148.9 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 41.4 t80 -48.96 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -46.63 -46.86 20.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.45 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 145.94 -29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -116.12 172.6 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 28.2 p -161.61 152.49 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -102.58 122.86 45.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.1 t -104.98 122.61 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -92.43 138.8 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.25 163.77 15.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -82.97 -65.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.13 175.27 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.73 -33.15 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.38 -46.69 73.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -55.96 -56.23 23.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.9 tp -51.26 -61.2 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -46.98 -52.81 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -34.22 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.23 -21.09 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.8 mt -72.51 -12.82 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -86.5 -26.32 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.78 -17.25 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.57 101.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.72 -17.89 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.27 172.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -111.65 131.25 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.2 tp -100.78 90.67 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.28 -113.68 5.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.97 12.17 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -136.03 -179.52 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -107.58 163.43 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.8 mt -108.79 140.89 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -134.62 99.59 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 t -113.05 122.46 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -135.96 150.91 49.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.91 129.32 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.72 72.28 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -96.03 119.13 33.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -162.88 134.83 3.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -68.71 132.01 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -89.48 -49.68 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -162.61 146.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -73.36 132.9 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 119.19 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.8 t -119.0 116.64 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -128.98 146.66 17.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.23 140.35 22.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.6 t -148.54 123.17 9.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.7 t -142.96 124.0 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -92.01 140.85 29.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 p -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.15 105.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -121.74 -55.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -108.53 125.24 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.91 107.49 2.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 144.45 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -129.07 125.97 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 mt -100.45 155.61 36.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -45.14 133.35 11.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.396 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.1 p -78.69 -29.35 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -149.28 152.54 36.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.469 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 39.3 Cg_endo -68.08 169.55 16.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.83 175.59 36.19 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.36 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.0 m-85 -123.11 111.09 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 m -109.71 147.02 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.7 148.4 49.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.6 t80 -99.48 129.53 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -132.13 109.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.11 -179.66 17.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.91 51.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.52 144.09 29.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.98 164.71 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -70.02 -36.12 74.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.09 46.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -106.76 136.93 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.56 171.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -41.06 -55.18 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -50.41 -61.54 5.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 7.2 t0 -35.32 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -50.65 -39.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 24.4 t70 -56.82 -38.68 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.27 63.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.53 -41.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -113.84 32.93 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.37 -18.55 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.64 -38.29 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.82 -177.57 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -96.96 113.91 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 94.3 mt -103.68 114.44 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -81.14 -58.13 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 t -157.12 148.32 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.9 t -120.69 104.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -88.9 101.06 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 84' ' ' CYS . 26.7 mt -83.73 117.57 23.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.81 149.25 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 173.47 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' CG ' ' HD3' ' A' ' 81' ' ' LYS . 3.5 m-20 -81.22 176.73 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -98.18 -28.37 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -99.83 -55.43 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.1 p -77.58 -29.61 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.99 48.51 20.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' PHE . 16.5 mtpt -123.88 137.23 54.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LYS . 22.6 t80 -34.82 111.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HD3' ' CG ' ' A' ' 74' ' ' ASP . 2.9 mmmp? -60.01 -43.9 94.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.423 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 149.32 -27.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -116.68 153.95 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' CB ' HD22 ' A' ' 71' ' ' LEU . 22.0 p -149.19 156.62 42.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -103.99 122.21 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.59 126.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.72 154.88 17.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -129.97 166.39 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -70.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -99.49 -177.25 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.476 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 7.5 p -81.89 -30.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.42 -46.31 73.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.5 m -55.79 -50.12 71.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.46 -58.4 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -44.21 -43.0 6.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -70.43 -35.86 73.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.61 -20.27 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 65.4 mt -70.01 -14.73 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.9 p -78.47 -27.89 46.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -57.87 -13.54 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.51 87.23 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 -7.91 2.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.76 168.78 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.13 132.57 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 tp -109.05 96.45 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.54 -116.34 8.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.0 19.41 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -144.54 -175.11 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -112.56 -177.52 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.4 mt -130.27 147.41 51.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -132.41 102.85 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -115.1 120.57 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -139.06 158.55 43.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.84 110.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.79 99.29 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -145.97 94.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.444 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -54.33 162.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -131.24 104.29 6.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -61.01 127.24 30.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -54.65 159.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -106.91 148.7 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.1 m -119.91 167.43 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -130.46 95.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.8 158.89 49.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.0 t -82.83 152.4 25.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -122.11 142.99 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -134.34 158.52 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 t -123.36 129.65 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 130.45 6.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.5 m -72.95 -52.9 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -78.26 104.73 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.35 -136.38 3.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -41.52 156.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.55 118.68 34.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.62 156.09 35.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.614 0.721 . . . . 0.0 110.956 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -45.63 131.13 12.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -73.35 -25.06 60.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.64 152.75 29.31 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.74 169.65 15.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.79 177.65 28.23 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -122.71 106.76 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.463 HG21 ' N ' ' A' ' 43' ' ' ALA . 62.1 m -118.71 142.64 47.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' N ' HG21 ' A' ' 42' ' ' THR . . . -123.04 143.42 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.61 134.83 34.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 t -132.45 125.33 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.55 -179.55 15.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER 69.46 39.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.8 mt -94.66 156.64 38.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -48.09 160.97 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -58.5 -50.46 73.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -108.6 76.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -100.89 126.39 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' GLN . 25.0 m -115.95 158.85 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' VAL . 32.2 tt0 -36.95 -50.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -43.2 -57.79 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -45.42 -68.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.339 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.7 mm -46.77 -54.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -27.37 3.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.64 -39.41 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.68 -43.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -107.93 29.05 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 10.2 ptmm? -51.66 -46.72 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 33.8 t70 -47.99 -49.07 31.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.13 172.16 12.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -100.04 88.78 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 28.5 mt -75.28 135.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -98.48 -47.43 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 t -154.74 153.14 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.16 115.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -98.16 112.74 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -99.29 115.1 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 73' ' ' ARG . 40.2 t -73.0 144.75 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' N ' HG11 ' A' ' 72' ' ' VAL . 59.2 mtt180 -147.98 161.24 41.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.14 -175.28 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -116.6 -39.59 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -43.94 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.5 p -95.67 -37.19 10.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 65.71 46.7 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -107.84 171.74 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 81' ' ' LYS . 49.0 t80 -77.11 91.47 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' PHE . 10.8 mmmt -35.97 -44.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.08 -13.47 6.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -126.54 145.86 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.8 p -147.37 155.7 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -104.3 125.68 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.533 HG13 ' CE1' ' A' ' 88' ' ' PHE . 87.0 t -104.51 122.47 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -91.32 159.53 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' HG13 ' A' ' 86' ' ' VAL . 83.1 m-85 -142.31 154.51 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -71.72 -47.54 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -118.4 176.5 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -79.59 -37.55 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -41.22 -56.48 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.447 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 20.0 m -48.15 -54.61 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 13.9 tp -56.3 -52.93 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -45.23 -37.47 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.34 -42.65 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.17 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.45 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 p -91.13 -10.95 40.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.42 1.5 37.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -77.46 46.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.72 -36.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.51 169.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -117.09 128.27 54.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.2 tp -105.65 94.01 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.98 -114.57 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -99.84 13.09 34.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -136.93 178.14 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 p -106.89 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.99 135.25 55.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -126.94 102.33 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -118.05 122.6 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.33 169.89 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.2 mt -87.57 120.48 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.84 96.13 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.36 83.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.71 169.03 14.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -141.35 106.17 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.31 135.06 35.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.64 132.3 45.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -103.99 122.05 44.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -82.0 140.68 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.0 m -126.45 136.94 53.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -128.47 93.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.3 151.97 49.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 t -157.82 111.11 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.4 p -150.71 161.1 43.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 p -89.06 109.48 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 t -101.7 128.34 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.92 153.39 21.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -126.64 107.9 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.5 p -101.14 166.07 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.67 -75.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -64.28 143.78 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -96.36 93.88 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -78.59 153.17 78.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.78 156.59 64.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m -106.4 -38.31 6.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.09 153.91 75.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.467 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.76 169.57 15.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.85 168.5 67.59 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.21 102.04 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -109.8 148.18 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.24 145.19 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -97.58 141.61 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.7 t -139.52 123.55 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 -176.09 14.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.11 48.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.88 143.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.81 162.58 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.61 -36.62 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -85.92 47.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -105.2 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -114.59 154.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -37.67 -44.06 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.62 -59.15 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.61 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.411 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 26.7 mm -45.47 -49.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.73 -42.48 57.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.33 76.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 57' ' ' ILE . 62.7 mt -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -91.92 24.04 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -34.66 16.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -66.69 -38.53 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.5 mt -82.91 -179.29 7.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 m -97.7 125.37 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.26 111.49 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -83.57 -37.52 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -171.18 148.49 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.34 114.75 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -95.38 111.08 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.42 HD23 ' CB ' ' A' ' 84' ' ' CYS . 36.9 mt -93.04 116.84 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.4 122.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -111.94 174.36 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.71 -179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -96.79 -20.66 18.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.18 -70.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -63.57 -24.52 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.53 39.84 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' PHE . 15.0 mmmt -121.62 157.96 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' LYS . 26.8 t80 -35.06 152.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -116.2 -39.37 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.62 -38.31 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -111.53 154.6 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' CB ' HD23 ' A' ' 71' ' ' LEU . 1.7 p -148.84 163.15 38.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -114.07 125.73 54.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.9 t -103.27 133.16 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.23 135.17 41.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 97.9 m-85 -116.38 154.29 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -66.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -100.99 173.44 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 92' ' ' ASP . 9.6 p -68.3 -48.79 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.438 ' N ' HG13 ' A' ' 91' ' ' VAL . 6.7 m-20 -36.44 -60.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.529 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 37.5 m -40.91 -53.25 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' LYS . 25.6 tp -60.78 -69.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LEU . 26.4 ttpt -35.68 -45.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.75 -53.72 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.44 -38.47 43.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.17 -18.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 46.6 p -76.45 -36.86 57.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.417 ' O ' ' N ' ' A' ' 102' ' ' GLY . 17.7 m-85 -47.82 -20.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.76 84.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' TYR . . . 144.97 -13.01 1.91 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.43 169.12 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -114.84 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.64 98.06 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.5 -116.76 9.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.09 18.48 17.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.344 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -142.02 174.42 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.6 m -101.03 179.04 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 mt -124.86 143.8 50.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -134.66 99.35 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.2 t -110.88 129.84 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.28 154.7 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' GLU . 15.9 mt -70.91 112.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.41 82.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 3.5 tp10 -60.19 141.21 56.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.54 135.82 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -108.73 127.47 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -90.04 -60.14 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -94.72 145.52 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.62 160.81 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -173.21 140.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 m -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -114.05 162.86 12.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.12 177.47 7.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.9 p -124.52 148.16 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.4 t -125.09 138.79 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -115.18 123.66 49.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -47.34 110.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.03 102.08 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -97.1 166.78 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.9 m -124.62 119.92 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.51 -149.81 5.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' GLU . 25.1 mtpp -90.41 124.9 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -34.62 130.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt -81.59 154.04 70.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -46.31 134.97 15.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.1 p -87.58 -34.55 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -149.96 152.94 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.673 0.749 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 43.6 Cg_endo -70.28 169.29 19.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 164.59 78.74 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.372 -0.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.444 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 49.6 m-85 -106.77 122.08 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -120.91 138.94 53.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 94' ' ' LEU . . . -126.23 144.38 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.2 t80 -96.37 129.83 43.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.3 103.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.14 -174.95 18.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.84 47.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 mt -118.24 144.04 34.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -48.97 160.66 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.74 -41.5 92.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.9 44.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 m -99.41 134.05 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.84 161.35 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -41.87 -43.33 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -52.64 -65.08 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -38.15 -51.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.5 mm -56.24 -56.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -41.73 -41.76 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.81 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -54.72 -38.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.404 ' CD1' HD12 ' A' ' 64' ' ' LEU . 69.6 m-85 -111.46 30.65 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.42 -12.33 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.18 -25.45 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 HD12 ' CD1' ' A' ' 61' ' ' PHE . 33.5 mt -99.4 155.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -76.89 123.98 27.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.1 mt -119.08 108.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -79.62 -44.66 20.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -162.08 155.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.45 125.3 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -102.26 104.27 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 mt -84.32 104.83 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG22 ' CD2' ' A' ' 83' ' ' PHE . 47.1 t -54.14 122.83 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -138.99 166.05 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.68 -177.34 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -95.22 -48.32 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.32 -64.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 71.7 p -65.95 -34.32 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' THR . 3.4 p30 49.01 39.35 14.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' PHE . 78.7 mttt -111.83 130.68 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LYS . 39.3 t80 -35.93 107.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -55.07 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.9 -28.2 0.13 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' A' ' 72' ' ' VAL . 10.1 p90 -114.55 146.01 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 p -139.24 161.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -115.67 128.35 55.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.2 t -102.78 137.98 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.55 116.04 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 59.4 m-85 -97.13 137.84 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.21 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -97.55 177.16 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.444 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 7.2 p -81.03 -26.06 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.25 -45.79 92.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.564 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 4.8 m -52.36 -58.83 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 43' ' ' ALA . 14.7 tp -56.51 -52.18 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -48.5 -39.86 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.85 -45.22 64.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.04 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.44 -17.77 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -79.5 -23.61 42.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.36 -10.51 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 18.6 p-10 -70.0 93.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -9.87 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.6 158.36 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.86 148.83 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.9 tp -106.83 90.15 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.13 -110.42 3.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.09 16.09 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -140.58 -175.16 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -115.21 162.11 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 mt -112.77 144.42 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -130.94 99.23 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.03 131.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -157.83 148.77 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.89 123.08 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.88 75.21 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -39.45 137.1 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -178.59 72.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.9 170.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -137.27 167.13 22.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -92.93 87.79 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -123.47 135.1 53.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -105.41 169.16 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.9 t -134.78 101.75 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.02 146.2 15.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -48.97 -179.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.0 m -73.36 -50.1 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -170.0 150.01 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 p -100.04 83.54 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.2 t -141.87 120.19 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.13 -53.82 2.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -109.47 162.37 14.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -95.49 89.96 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.41 -111.68 4.33 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -47.23 174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.83 116.24 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -95.13 155.16 39.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.43 131.6 22.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.75 2.3 . . . . 0.0 112.343 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -97.08 -12.1 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.73 144.55 18.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.472 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.2 Cg_endo -72.58 169.07 22.74 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.4 Cg_endo -69.77 172.88 46.99 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.328 -0.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -117.77 94.04 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.3 m -91.32 142.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.63 149.75 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -103.76 127.56 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.95 118.56 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.16 -176.32 14.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.72 52.13 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -112.81 143.44 29.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 54.5 Cg_exo -49.12 162.84 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.83 -42.51 90.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -82.69 44.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -106.19 122.95 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.69 176.77 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -41.19 -47.94 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.18 -61.27 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.7 t70 -35.14 -60.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.8 mm -54.21 -42.01 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' GLY . 32.2 t70 -56.25 -33.93 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.35 -36.55 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.55 -50.43 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -97.65 28.38 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -60.81 -11.3 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.13 -12.44 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.9 mt -111.66 163.51 14.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 p -85.26 92.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 39.8 mt -86.79 112.96 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -76.73 -43.67 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -172.66 155.7 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 70' ' ' ARG . 94.3 t -120.04 150.92 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' N ' HG13 ' A' ' 69' ' ' VAL . 47.8 ttt-85 -122.92 109.76 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 29.2 mt -103.86 129.34 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 65.2 t -101.28 159.08 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.4 mtt85 -148.46 146.31 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 4.0 t70 -62.48 -175.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.85 -70.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -34.08 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.9 p -104.72 -22.73 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 49.82 26.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -100.49 152.35 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -54.33 117.61 3.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 74' ' ' ASP . 7.3 mmmm -59.66 -67.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.44 33.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -162.63 155.98 20.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.2 p -161.14 147.9 14.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -98.11 121.81 40.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.4 122.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -93.68 135.34 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -108.88 177.72 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.44 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -104.18 153.37 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.68 -31.99 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -61.17 -46.61 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 m -50.9 -56.21 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.4 tp -59.0 -48.35 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -48.17 -41.27 26.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -72.01 -37.96 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.94 -18.48 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.62 -25.14 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 p -65.76 -14.38 61.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -79.55 2.07 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 14.7 p-10 -72.43 86.77 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.49 4.98 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 171.88 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.7 mt -119.18 128.92 54.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 tp -105.47 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.92 -115.07 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -99.29 18.53 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 49' ' ' PRO . 30.8 mtt180 -141.07 -176.35 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.6 p -110.67 177.75 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -124.24 138.95 54.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -125.06 100.76 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.9 127.63 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -152.23 158.15 42.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 116' ' ' GLU . 46.5 mt -71.92 124.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.12 82.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 114' ' ' ILE . 4.9 tp10 -43.64 135.16 3.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -147.45 139.15 7.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' C ' ' HD2' ' A' ' 118' ' ' ARG . 4.5 tmm_? -129.2 137.77 51.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.74 121.88 10.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 121' ' ' ASP . 26.6 tt0 -60.89 149.93 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.437 ' N ' ' HG2' ' A' ' 120' ' ' GLN . 9.4 t70 -49.36 164.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -95.26 110.58 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t -83.63 96.67 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -106.33 94.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.62 168.5 24.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.288 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -101.87 85.62 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.1 t -74.56 -55.47 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLY . 3.7 m -37.95 106.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 t -95.77 101.17 12.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.28 -162.1 33.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -145.35 175.32 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 151.33 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 -105.22 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -44.16 136.58 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.28 124.21 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' A' ' 114' ' ' ILE . 19.9 mt -84.26 152.0 60.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.8 140.92 52.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 p -83.25 -37.04 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.32 155.18 75.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.467 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 37.1 Cg_endo -66.57 169.86 13.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.77 173.95 42.56 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.36 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.08 94.95 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -99.49 146.04 26.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -136.69 153.48 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -105.53 142.26 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -136.34 119.93 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.06 -175.28 17.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.89 54.61 8.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.8 mt -101.36 152.27 37.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.12 141.84 6.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -45.34 -46.36 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -109.81 79.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.2 m -105.32 144.09 32.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.0 m -136.55 154.62 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tt0 -36.44 -39.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.5 -45.91 93.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' VAL . 15.9 m-20 -52.87 -55.63 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.8 mm -54.76 -45.36 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -56.59 -34.44 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.08 59.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.42 -56.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -101.77 29.57 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -54.28 -24.47 19.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -27.73 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.3 mt -93.53 168.73 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 110.71 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.5 mt -105.83 118.61 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -76.31 -44.99 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 t -174.67 150.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 70' ' ' ARG . 84.6 t -112.89 138.09 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 69' ' ' VAL . 37.7 mtp85 -105.17 112.87 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -102.35 133.27 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.4 t -109.03 153.45 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -141.46 174.38 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.08 176.79 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -105.4 -21.22 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -111.09 -68.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -24.99 67.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.2 t0 52.56 43.14 31.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -111.02 168.87 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -70.13 98.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -41.84 -59.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.14 25.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -155.98 147.73 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -158.14 160.09 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -111.77 134.96 52.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.36 135.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.73 143.38 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 47.8 m-85 -121.24 135.7 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -65.23 -62.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -100.1 173.0 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 14.4 p -72.87 -49.08 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 1.3 p30 -44.79 -40.65 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 69.1 m -53.82 -48.54 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.33 -47.98 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.448 ' HE3' ' N ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -49.68 -43.85 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.72 -37.94 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' CD1' HD23 ' A' ' 35' ' ' LEU . 53.0 mt -74.12 -17.27 60.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.3 p -76.16 -7.94 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -83.52 -1.61 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -76.61 66.28 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.24 32.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.0 128.51 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.65 128.54 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -100.42 90.32 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.47 -115.87 8.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -97.68 26.56 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -144.64 176.25 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -115.87 161.4 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -127.41 138.84 53.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -132.11 99.59 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 19.3 t -110.04 135.09 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -154.52 152.18 29.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' A' ' 35' ' ' LEU . 59.6 mt -71.39 113.7 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.6 107.54 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.2 126.87 47.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -133.86 73.14 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -87.92 106.12 17.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.3 153.69 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -138.1 130.29 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.28 108.55 19.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -67.37 -55.05 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.0 p -53.08 166.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.78 81.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.28 173.29 13.3 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.744 2.296 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.0 m -107.6 119.31 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.5 m -76.35 174.45 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -51.21 177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -114.75 -60.87 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.29 -43.03 1.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -91.84 158.89 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.5 m -164.66 164.43 21.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.82 -87.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -40.41 161.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -146.98 126.69 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.58 157.45 2.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.2 149.09 63.6 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.7 p -96.05 -33.73 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -149.78 152.21 34.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.79 169.62 15.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.0 Cg_endo -69.82 151.15 91.32 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.358 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 68.5 m-85 -90.71 107.21 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 m -103.74 141.26 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.14 148.52 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -107.84 128.03 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.45 116.12 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.97 -179.7 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.5 40.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.5 mt -95.59 152.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.73 165.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.09 -43.35 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.79 79.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.0 m -101.89 120.15 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.9 m -108.45 153.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' VAL . 17.1 tt0 -36.74 -49.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -44.71 -62.69 2.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.6 t70 -35.04 -54.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -57.23 -50.12 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.49 -37.12 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.06 53.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.99 -38.35 76.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 97' ' ' ALA . 62.1 m-85 -117.05 32.24 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -59.77 -48.87 79.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.43 -39.52 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.15 177.96 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -109.51 108.68 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.33 117.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -73.72 -41.55 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -163.68 166.94 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.52 125.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -111.32 117.3 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.1 mt -99.93 131.14 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -85.85 111.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -97.76 172.21 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.75 -178.36 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -107.25 -39.89 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.6 p -72.03 -27.69 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 63.54 34.36 12.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -109.2 160.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -46.73 124.09 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -68.61 -71.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.12 -23.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -130.55 147.37 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 27.5 p -143.68 166.65 24.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -113.99 127.74 56.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.65 137.01 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.17 128.06 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 61.3 m-85 -106.54 154.38 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -81.88 -47.88 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -118.99 157.68 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 10.7 p -60.9 -33.26 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' A' ' 93' ' ' SER . 0.6 OUTLIER -51.01 -54.04 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 92' ' ' ASP . 19.0 m -48.34 -58.06 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.6 tp -57.22 -56.49 21.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -45.99 -37.34 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.79 -39.56 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 61' ' ' PHE . . . -66.92 -21.48 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.24 -15.33 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -81.19 -8.96 59.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -76.65 -6.06 50.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -75.5 105.61 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.19 -17.16 7.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.29 155.7 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.4 137.05 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.7 tp -112.63 94.92 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.68 -116.14 7.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.96 14.39 30.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -142.67 175.85 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -100.26 178.82 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 mt -124.06 146.08 48.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -132.9 102.64 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.88 113.5 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.25 157.29 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.87 127.61 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.12 100.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -88.14 132.63 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.11 110.59 2.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 100.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -82.45 127.66 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -152.79 150.47 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -109.27 154.18 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.91 156.85 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.6 p -66.75 146.25 54.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.57 80.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -49.65 149.3 10.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.3 t -44.16 137.97 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.0 m -51.43 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t -161.47 129.74 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -98.8 163.82 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.3 74.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 p -139.79 115.14 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -172.57 144.27 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.56 -55.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' CE ' HD13 ' A' ' 98' ' ' LEU . 16.0 pttm -48.83 171.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -110.32 78.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.03 156.65 6.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.19 159.04 54.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.7 m -112.26 -38.23 4.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -127.52 139.59 35.65 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.455 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.9 Cg_endo -77.14 168.86 22.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.75 179.8 21.27 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.346 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 7.7 m-85 -119.88 127.04 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.8 m -118.58 125.15 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.37 142.1 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.6 133.82 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -133.25 130.61 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.93 -178.78 15.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 40.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.2 mt -97.03 156.34 36.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.39 164.24 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -58.05 -46.89 84.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 15.2 p-10 -106.31 74.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -96.51 122.53 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.16 167.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -45.98 -54.85 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.95 8.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -37.85 -50.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.0 -53.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.7 -32.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.33 -46.44 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.83 -54.1 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.53 31.83 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.7 -35.93 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.71 -41.08 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.6 mt -76.86 178.35 6.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -97.64 97.26 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -91.05 122.33 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -91.83 -60.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 76.2 p -147.06 131.65 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.56 116.32 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -103.26 108.43 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD23 ' CB ' ' A' ' 84' ' ' CYS . 25.5 mt -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.402 HG22 ' CD2' ' A' ' 83' ' ' PHE . 42.9 t -65.4 138.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -144.85 173.7 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -86.87 -177.98 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -107.71 -24.08 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.56 -68.26 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.3 p -70.16 -42.25 72.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 72.78 40.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -113.46 169.58 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -61.73 132.67 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -85.12 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.14 -32.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.402 ' CD2' HG22 ' A' ' 72' ' ' VAL . 33.8 p90 -117.39 164.0 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.418 ' CB ' HD23 ' A' ' 71' ' ' LEU . 18.9 p -158.79 149.3 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -98.3 121.37 40.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.78 119.66 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -87.25 133.82 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 83.5 m-85 -111.89 173.36 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.09 -68.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -91.97 153.37 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.51 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -45.55 77.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.52 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 3.6 m -52.78 -59.78 4.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.68 -56.92 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -47.67 -32.2 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -78.6 -48.76 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.34 -36.17 52.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.459 HD13 ' CE ' ' A' ' 33' ' ' LYS . 92.5 mt -52.51 -22.78 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.1 p -77.07 -35.39 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -52.38 -16.78 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.5 90.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.47 -18.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.0 175.07 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -111.45 132.38 54.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 tp -104.6 93.94 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.0 8.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.49 22.05 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -148.5 -178.93 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -103.93 176.73 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.7 mt -118.5 142.79 47.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -134.51 101.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.87 130.95 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -155.64 151.27 27.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.67 139.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -96.65 142.44 28.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -128.19 166.28 18.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -155.2 -88.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.3 41.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -83.64 51.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -155.03 175.39 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -116.73 170.57 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -136.14 131.93 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.2 t -68.71 158.92 33.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.78 146.54 48.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.42 141.99 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.0 t -59.03 -42.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 128' ' ' GLY . 40.9 m -86.2 147.46 26.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -82.23 139.16 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 p -173.12 120.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.33 54.26 0.58 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.9 t -151.85 128.65 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.8 p -64.52 142.7 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.23 -174.67 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -87.91 114.28 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -43.4 128.37 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt -89.59 154.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.728 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 66.0 Cg_exo -46.85 132.54 17.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -67.86 -45.57 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -151.2 156.98 35.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.726 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.462 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.65 169.63 15.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.0 Cg_endo -69.72 145.74 80.17 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.361 -0.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.52 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.5 m-85 -92.88 106.67 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -121.59 138.1 54.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 3.3 t80 -99.37 139.32 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.23 127.07 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.77 -174.43 14.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.36 45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 mt -103.56 150.38 38.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.16 162.81 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.4 -39.59 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -110.39 73.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -97.05 129.21 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.1 m -117.83 150.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.3 tt0 -37.26 -49.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.62 -61.71 4.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.6 t70 -37.49 -58.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.57 -49.93 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -50.29 -31.3 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.46 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.77 -57.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -94.74 26.26 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.43 -34.85 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.17 -40.61 94.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.1 mt -84.25 167.37 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 m -85.5 108.51 17.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.2 125.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -89.29 -50.4 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -164.6 147.37 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -113.32 108.07 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.9 mt -96.84 148.46 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 73' ' ' ARG . 58.4 t -104.58 142.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' HG13 ' A' ' 72' ' ' VAL . 6.6 mmt85 -134.62 153.26 52.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.72 178.65 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.82 -39.89 10.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.13 -70.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 p -66.2 -16.15 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 42.75 46.82 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -120.95 169.4 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.415 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 31.1 t80 -50.93 143.83 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -94.3 -55.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 151.12 -15.54 0.88 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -132.77 145.67 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 p -144.28 166.01 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 85' ' ' TYR . 2.7 m-85 -120.84 127.41 51.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -101.98 139.06 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -102.01 135.97 42.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -120.64 157.99 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.97 -68.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -92.2 162.61 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 4.4 p -71.98 -26.48 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -56.36 -51.64 67.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.3 m -48.73 -59.07 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.51 -58.1 9.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -40.86 -39.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -77.06 -48.81 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.94 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.85 -28.21 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.0 p -62.02 -16.21 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.22 -0.16 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -73.74 81.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.04 -4.11 2.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.83 168.15 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -114.06 133.54 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 55.6 tp -109.9 95.15 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.99 -118.07 13.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.14 25.18 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -148.22 -179.34 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 t -111.28 170.1 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.96 139.56 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -128.77 99.67 5.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.75 127.78 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -152.07 162.95 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -76.34 128.79 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.81 118.55 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.78 98.36 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -152.03 66.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -133.65 108.36 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.409 ' NZ ' ' HA ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -76.8 124.39 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -147.87 121.34 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.55 154.5 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -90.29 73.18 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.8 t -46.84 126.45 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.5 95.23 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -46.94 120.38 4.11 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 m 60.0 50.03 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -68.24 127.59 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -82.5 -59.41 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.3 m -55.83 125.03 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.75 149.77 16.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 p -98.09 137.06 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -79.32 -44.46 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.31 172.35 19.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -38.55 145.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.3 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.37 150.21 27.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.26 155.07 75.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.86 153.52 68.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 p -100.97 -14.95 17.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -165.05 156.32 12.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.464 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.9 Cg_endo -67.73 169.62 15.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.71 162.16 84.56 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.327 -0.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.94 99.22 8.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -112.03 139.01 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 94' ' ' LEU . . . -124.31 140.8 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.38 129.23 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.0 t -125.73 110.98 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.89 -172.48 17.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.548 ' ND2' ' NH2' ' A' ' 108' ' ' ARG . 0.3 OUTLIER 61.59 49.98 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 mt -111.39 155.65 42.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.21 156.09 4.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -63.08 -27.19 69.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.28 67.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -100.24 117.25 34.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLN . 11.5 m -109.42 153.6 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' VAL . 31.4 tt0 -34.85 -64.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -38.52 -57.96 1.79 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.424 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -35.81 -64.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . 26.5 mm -52.13 -50.25 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -48.3 -34.71 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 -38.98 49.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 57' ' ' ILE . 45.5 mt -56.8 -43.67 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.47 34.12 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -58.58 -23.3 58.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.43 -41.94 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.47 176.16 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -98.67 117.71 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.1 mt -103.33 115.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -74.91 -51.42 13.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 m -158.62 143.8 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.62 131.36 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -118.59 107.64 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.8 mt -88.1 107.29 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.507 HG11 ' CE2' ' A' ' 83' ' ' PHE . 19.5 t -60.95 135.02 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -148.55 -179.17 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.88 -178.86 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -87.86 -58.78 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.51 -64.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 60.7 p -65.56 -31.22 72.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 77' ' ' THR . 5.9 p-10 45.46 46.96 10.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -105.03 143.29 33.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -44.24 103.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -62.09 -39.18 91.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 -34.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.507 ' CE2' HG11 ' A' ' 72' ' ' VAL . 31.4 p90 -114.98 166.18 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.7 p -158.66 162.17 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -112.38 126.21 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.519 HG11 ' CE1' ' A' ' 88' ' ' PHE . 20.9 t -102.71 138.61 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -111.27 127.49 55.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 86' ' ' VAL . 51.0 m-85 -107.13 170.83 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -84.08 -53.13 5.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.27 170.67 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.97 -23.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.71 -62.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.507 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 13.7 m -43.61 -60.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.463 ' CD1' ' HB1' ' A' ' 43' ' ' ALA . 17.4 tp -49.15 -48.29 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -52.59 -39.74 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -80.28 -29.67 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.83 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.59 -25.75 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -4.49 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -90.27 0.53 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -77.64 47.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.17 -32.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.83 159.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.02 128.5 53.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.4 tp -107.42 103.23 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.69 -118.51 14.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -98.59 21.25 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.548 ' NH2' ' ND2' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -147.16 -178.78 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.7 m -110.59 174.95 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.99 141.61 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -127.71 103.48 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -116.64 133.8 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.24 163.59 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.2 140.27 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.04 101.31 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -117.69 80.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -125.92 98.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 119' ' ' LYS . 19.7 tpp180 -63.47 151.59 40.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 118' ' ' ARG . 34.9 mmtt -123.23 136.8 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -127.14 163.46 23.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -153.34 146.08 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -125.83 149.67 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t -120.17 120.25 35.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.37 100.32 0.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.21 126.85 11.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.3 t -69.56 87.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.6 m -126.23 175.25 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m 56.03 43.0 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 p -118.16 130.71 56.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.55 -122.69 2.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 t -53.53 118.75 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -66.85 111.32 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 -106.78 2.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -72.69 113.98 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -104.17 153.73 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 21.5 mt -84.59 152.15 59.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.45 145.22 64.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -108.69 34.0 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.55 139.01 0.79 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.461 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.0 Cg_endo -79.9 168.73 18.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.74 -179.88 20.38 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.313 -0.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 91' ' ' VAL . 98.1 m-85 -111.6 110.64 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 m -109.34 145.68 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -137.59 135.01 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -92.09 136.75 32.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.5 121.09 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.54 -175.92 14.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 42.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.8 mt -104.19 152.67 39.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.723 . . . . 0.0 110.962 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -46.33 153.38 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -54.85 -45.15 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -104.86 74.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.4 m -106.93 133.79 51.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 m -119.32 167.53 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.76 -50.05 18.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.87 -58.51 4.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -41.66 -58.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -55.56 -52.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -47.35 -34.03 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 -43.02 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.94 -45.77 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -109.44 33.58 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 63' ' ' ASP . 21.0 pttm -58.63 -51.41 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 21.2 m-20 -49.83 -38.4 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.39 172.84 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -100.26 85.14 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.1 mt -72.6 104.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -44.65 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -169.54 145.28 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.52 132.11 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -115.38 107.09 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 mt -96.49 110.68 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.19 144.3 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -142.73 145.69 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.37 174.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -105.58 -0.34 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.68 -64.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 p -86.68 -25.18 24.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.73 42.97 10.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -113.05 168.7 9.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.12 114.78 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -66.59 -31.89 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.06 12.14 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.32 142.0 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 31.4 p -145.82 169.63 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -115.87 135.18 54.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.99 133.29 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.89 138.26 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -120.03 140.11 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.03 -68.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -109.47 172.91 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 41' ' ' TYR . 9.8 p -67.31 -33.68 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -46.4 -60.19 2.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -53.81 -61.08 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 9.6 tp -42.88 -49.01 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -59.16 -51.74 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.55 -23.64 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.74 -28.57 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 55.4 mt -66.43 -8.79 28.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.9 p -86.43 -16.04 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.76 -13.56 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 11.0 p-10 -58.35 90.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.93 -7.01 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.4 162.34 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -110.69 131.97 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.45 99.72 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.26 -114.42 6.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.85 24.66 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -149.27 179.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 m -108.16 -179.36 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 mt -123.6 144.24 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.98 100.66 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.52 131.15 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.45 154.84 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.6 mt -72.27 116.43 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.59 88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -73.64 98.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.63 -147.53 9.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.8 mtm105 -132.9 138.14 46.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.828 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.74 116.5 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -152.05 107.41 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -168.75 117.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -59.68 169.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -74.9 131.45 40.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -50.97 146.24 10.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.98 151.36 27.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.0 t -89.79 114.26 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -82.45 -51.81 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.439 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -92.03 136.34 33.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.0 m -145.51 153.03 40.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.57 157.07 29.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.7 m -118.54 -48.68 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -68.39 106.02 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.32 158.74 27.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.89 115.85 10.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.6 107.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' CD2' HD12 ' A' ' 98' ' ' LEU . 45.5 mt -73.33 155.88 89.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 54.2 Cg_exo -49.21 147.06 12.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -102.27 -26.42 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 6.5 tp10 -145.83 140.48 15.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.456 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.7 Cg_endo -72.58 169.06 22.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.78 178.82 24.18 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.331 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 47.7 m-85 -120.79 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -110.24 133.58 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -114.92 145.84 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -106.47 120.48 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.01 112.7 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.57 -172.46 17.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.04 41.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 25.6 mt -104.52 153.29 39.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.5 157.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.466 ' CE2' ' HB2' ' A' ' 51' ' ' ASN . 16.5 p90 -51.43 -41.96 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 7.5 t-20 -116.99 80.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.1 m -106.31 139.71 40.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.47 156.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.461 ' CB ' HG12 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -53.46 -21.78 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.66 -61.13 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.61 -58.24 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.3 mm -51.38 -41.22 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.03 -42.86 77.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.46 -45.98 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.4 mt -51.08 -41.8 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 97' ' ' ALA . 34.6 m-85 -106.56 26.33 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -55.68 -26.3 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.39 -38.19 71.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.5 mt -84.82 157.65 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.6 m -83.87 87.65 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 67' ' ' ARG . 47.3 mt -67.03 141.09 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.452 ' N ' HG22 ' A' ' 66' ' ' ILE . 25.9 ttt85 -98.38 -49.25 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.3 p -168.32 156.21 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 54' ' ' GLN . 57.7 t -119.75 129.71 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -120.28 112.32 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 59.5 mt -99.63 119.97 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 73' ' ' ARG . 72.7 t -81.93 139.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' N ' HG13 ' A' ' 72' ' ' VAL . 80.7 mtt180 -135.28 153.1 52.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.76 -177.22 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -109.12 -26.2 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -80.4 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -93.5 -16.7 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.4 t0 49.07 45.05 23.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -116.72 152.18 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.559 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 39.0 t80 -44.4 121.79 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -69.83 -38.46 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 134.82 -9.04 4.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -136.47 152.1 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 30.2 p -142.37 158.59 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -106.48 114.41 28.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 88' ' ' PHE . 66.0 t -102.76 127.6 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -99.63 156.96 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CE1' HG11 ' A' ' 86' ' ' VAL . 47.9 m-85 -133.58 155.38 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.55 -70.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -95.44 166.8 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.32 -49.01 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -38.7 -50.9 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -45.25 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.3 tp -61.0 -52.5 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -39.47 -34.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.3 -48.7 10.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . . . -52.39 -23.67 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' A' ' 35' ' ' LEU . 81.8 mt -60.68 -26.83 67.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASP . 35.6 p -66.56 -38.46 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -42.93 -23.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 13.5 p-10 -60.01 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.56 -9.96 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.28 166.27 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -105.85 133.37 50.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -109.89 94.22 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.47 -118.12 12.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -97.36 21.7 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -145.51 -177.21 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -108.28 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.0 mt -114.74 137.59 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -134.51 102.17 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 t -119.93 135.32 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.07 164.39 38.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.2 mt -77.05 117.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 95.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -103.84 137.93 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -164.79 -78.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -68.11 119.57 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -85.5 149.78 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -90.63 141.6 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.52 130.54 54.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.46 153.06 22.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -138.67 108.21 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.32 146.3 4.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -48.67 171.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 p -149.0 134.53 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.9 t -75.88 112.83 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' SER . 35.6 m -114.35 112.8 23.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' SER . 83.7 p -36.28 -42.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.52 111.9 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 t -94.09 101.05 13.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 t -144.83 139.89 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 97.04 2.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -93.64 147.68 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -110.08 89.92 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' CD2' HD12 ' A' ' 98' ' ' LEU . 27.3 mt -80.31 151.75 72.67 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.581 0.705 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.96 135.11 31.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -82.0 -25.73 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.24 161.44 29.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.474 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.3 Cg_exo -59.66 166.87 7.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.1 Cg_endo -69.73 153.13 92.79 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.367 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 21.2 m-85 -108.02 86.21 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -103.97 144.94 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -127.05 153.88 45.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -109.41 116.55 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.46 108.36 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.98 -178.38 19.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.52 45.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -111.74 144.06 29.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.81 164.72 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -71.11 -41.75 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -82.1 49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -107.82 136.07 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' GLN . 23.2 m -135.7 163.92 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.0 tt0 -37.17 -45.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.89 -62.81 5.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLY . 5.0 m-20 -35.55 -49.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.68 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -41.69 -30.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.48 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.71 -37.64 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -109.9 29.51 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -61.97 -14.58 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -3.16 59.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.3 mt -122.05 143.65 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -71.15 101.5 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.2 mt -90.68 133.85 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -94.45 -40.46 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 t -174.36 148.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 70' ' ' ARG . 60.8 t -116.82 138.13 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 69' ' ' VAL . 10.4 mmt85 -114.68 104.1 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.8 mt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.55 144.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -137.54 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.52 179.65 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -111.81 -29.46 7.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.1 -67.46 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -84.54 -28.06 26.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 69.79 47.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -120.52 157.49 29.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -55.16 129.96 40.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -80.42 -41.69 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.44 24.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 4.9 p90 -162.48 143.97 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 29.7 p -154.09 163.54 39.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -105.59 134.11 49.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.2 t -111.15 122.37 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -91.43 114.57 27.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.11 172.89 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.58 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -105.78 151.78 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.418 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 8.8 p -53.11 -22.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.83 -45.96 76.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.0 m -55.88 -44.02 77.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 43' ' ' ALA . 12.5 tp -68.76 -43.37 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -50.83 -43.97 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -71.54 -44.8 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.93 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 35' ' ' LEU . 42.4 mt -68.75 -14.72 63.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 p -83.7 -12.87 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -75.18 -5.87 46.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.993 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.56 95.02 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.17 -11.11 4.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.03 166.32 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.56 132.98 53.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 tp -109.55 98.73 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.25 -118.28 10.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -98.54 17.98 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.313 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -142.16 -176.11 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.7 m -108.08 175.67 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 80.8 mt -119.63 143.02 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 99.61 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.5 t -114.5 107.87 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -131.3 157.74 42.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 115' ' ' ALA . 33.3 mt -62.43 140.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 114' ' ' ILE . . . -119.26 50.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -91.61 84.54 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -66.2 139.99 38.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -77.09 95.71 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -117.75 81.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.59 112.49 13.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.82 161.84 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -69.46 -52.37 27.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.0 p -171.45 143.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.74 83.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.22 154.19 66.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 t -128.88 148.3 50.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.4 p -79.09 115.13 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.547 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' GLY . 3.5 m 34.45 50.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -58.17 132.1 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.51 -155.82 21.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -123.96 112.9 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 172.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.8 mttt -56.99 178.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.728 0.299 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' O ' ' CD1' ' A' ' 114' ' ' ILE . 2.6 mp0 -61.47 128.29 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt -102.62 151.92 38.33 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.37 146.17 67.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -102.79 -25.34 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.426 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 7.9 tp10 -132.39 140.28 37.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.481 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 50.4 Cg_endo -72.64 168.98 23.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.75 -179.16 18.4 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.32 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 31.9 m-85 -124.28 109.35 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -110.76 145.29 38.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.1 151.45 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.9 t80 -101.01 132.44 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.23 125.78 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.43 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.83 38.1 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.7 mt -93.65 154.66 41.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.712 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.11 155.26 1.02 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -50.94 -38.52 50.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -118.04 76.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.0 m -98.93 98.97 9.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.5 m -89.41 157.57 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.2 tp60 -35.86 -49.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.06 -61.14 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.554 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -34.89 -64.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -47.1 -52.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.38 -45.97 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.84 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.0 mt -51.21 -54.9 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -105.46 33.8 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 14.5 pttp -57.3 -44.29 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 18.7 m-20 -57.98 -40.24 80.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.4 mt -76.53 174.46 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -97.75 100.76 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.4 mt -90.81 108.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.86 -50.57 64.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -166.94 155.89 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.415 ' HB ' ' CD ' ' A' ' 54' ' ' GLN . 98.3 t -121.48 133.91 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -123.12 108.89 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.439 HD23 ' CB ' ' A' ' 84' ' ' CYS . 37.7 mt -93.58 148.86 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.39 142.54 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 73' ' ' ARG . 26.3 mtm105 -135.14 166.14 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.57 162.59 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -95.35 -1.6 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.2 -39.5 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.418 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 62.8 p -106.93 -38.02 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 77' ' ' THR . 0.5 OUTLIER 69.55 38.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -119.49 146.33 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.568 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 32.2 t80 -42.78 123.53 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -74.96 -37.02 62.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.39 8.77 3.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -153.54 141.54 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.439 ' CB ' HD23 ' A' ' 71' ' ' LEU . 30.0 p -147.63 172.96 13.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.16 125.27 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -110.37 123.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -92.98 152.88 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 95.9 m-85 -130.3 157.75 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.47 -66.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -105.96 174.23 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.25 -43.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.23 -59.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.4 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 58.4 m -42.32 -44.19 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.94 -58.3 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -43.01 -30.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -85.47 -41.81 15.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.43 -15.31 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.91 -35.11 67.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.3 p -66.07 -9.7 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -85.21 1.89 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 3.5 p-10 -81.76 48.36 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.54 -39.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.1 174.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -113.99 129.59 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.5 tp -106.08 97.18 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.61 -113.4 5.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.81 24.05 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.41 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -151.54 -175.68 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -113.88 167.78 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.59 140.25 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -132.17 100.42 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.6 111.26 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -122.31 154.88 37.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 34' ' ' GLU . 64.3 mt -66.9 117.79 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.69 83.44 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -99.51 47.18 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 46.81 -120.66 5.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -157.21 106.18 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -54.05 123.58 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -149.99 108.15 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.78 133.27 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -63.76 -39.11 93.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.7 m 47.64 47.76 17.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -127.92 97.69 0.46 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.42 94.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.2 t -60.59 173.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.7 t -167.36 131.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.4 m -117.1 142.92 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -112.94 106.51 14.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.9 -86.13 1.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -168.73 139.51 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.1 m -140.49 169.45 17.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.28 -88.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -85.81 123.18 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.63 160.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.6 mt -115.44 154.41 47.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -48.07 132.14 22.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.2 m -86.24 -40.71 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -134.79 153.18 78.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.8 Cg_endo -75.55 168.87 23.55 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.76 -179.03 18.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.376 -0.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -121.02 103.48 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 m -103.29 144.83 30.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 94' ' ' LEU . . . -129.24 145.45 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 4.8 t80 -99.05 136.04 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 HG22 ' C ' ' A' ' 44' ' ' TYR . 14.6 t -134.67 114.68 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.44 178.23 16.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.07 43.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.52 143.06 27.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.21 164.75 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.28 -34.57 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -89.41 48.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 m -109.55 121.11 44.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.35 168.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -43.16 -59.63 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -42.91 -62.67 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.4 t70 -36.07 -52.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.0 mm -62.32 -45.29 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -51.78 -30.17 21.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.88 -47.24 15.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -49.66 -47.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.19 34.62 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -60.26 -32.43 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.51 -41.98 92.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -81.08 163.19 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.3 p -82.8 101.57 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 57.2 mt -90.21 114.25 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -78.39 -64.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -149.57 136.88 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.4 t -106.85 117.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -103.14 122.28 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.41 108.96 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.3 t -52.56 154.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 78' ' ' ASP . 10.4 ttm-85 -155.7 143.91 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CB ' ' OG1' ' A' ' 77' ' ' THR . 4.6 m-20 -58.22 168.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -90.04 -26.51 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.69 -53.31 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 74' ' ' ASP . 58.6 p -71.38 -19.1 62.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' C ' ' HG2' ' A' ' 73' ' ' ARG . 5.5 p-10 37.44 52.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -125.55 150.63 47.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -51.76 113.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -56.37 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.05 -25.41 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -120.06 170.95 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.74 158.93 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 96.1 m-85 -107.76 121.32 44.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.18 123.44 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -93.39 145.26 24.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 88.0 m-85 -119.22 157.22 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.57 -58.65 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -105.36 168.55 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.95 -32.87 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' SER . 2.9 t0 -54.43 -62.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.538 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 22.8 m -37.77 -53.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 43' ' ' ALA . 15.3 tp -60.42 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -45.63 -45.91 14.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.06 -47.55 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.78 -28.1 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.38 -25.15 64.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 101' ' ' ASP . 21.3 p -74.76 -40.14 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -45.81 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 17.9 p-10 -58.38 92.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -14.18 3.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.33 166.11 17.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.01 133.56 53.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -102.78 90.02 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.82 -111.31 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -99.16 12.58 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -136.59 -177.69 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -113.92 167.43 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.2 mt -114.51 140.36 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -134.48 99.16 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.69 136.77 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.63 158.39 44.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.79 111.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.25 105.48 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -44.01 153.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -94.97 126.88 8.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 80.28 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -85.3 159.45 20.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -130.3 153.79 48.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.77 155.53 46.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 170.63 10.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 85.0 p -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -49.35 171.42 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.79 146.11 42.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.2 p -104.27 175.3 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.4 t 55.18 42.21 30.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -110.47 16.55 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 m -109.71 132.52 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.79 -41.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -119.8 -56.01 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -86.69 146.38 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.37 -46.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' GLU . 15.1 mmmt -53.89 108.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LYS . 3.4 tt0 -35.07 136.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 39.5 mt -73.85 154.42 89.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.33 117.29 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 p -45.73 -38.95 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -146.51 155.27 49.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.458 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.58 169.7 15.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.68 159.77 88.88 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.75 83.89 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.3 m -95.53 153.07 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.47 151.91 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -101.82 128.18 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.35 110.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.61 -174.02 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.19 48.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.8 mt -123.18 142.7 39.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -49.03 159.16 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -71.01 -6.38 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -96.36 8.71 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -86.6 121.68 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.11 170.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -41.16 -51.19 3.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.5 -44.12 45.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.92 -63.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.9 mm -44.77 -47.08 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.11 -40.81 90.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -65.9 -39.95 91.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.36 -58.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.49 27.69 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 59' ' ' ALA . 18.6 ptmt -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.33 -37.51 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.52 -175.31 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -102.82 107.48 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.01 104.81 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -64.1 -49.58 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -163.41 157.53 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.52 131.35 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtm-85 -111.89 105.8 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.9 mt -90.07 134.56 34.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.2 t -99.91 126.89 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.35 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.6 -175.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -107.49 -44.97 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.19 -52.6 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.5 p -88.7 -32.58 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 64.46 36.31 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -100.3 152.06 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.02 114.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.0 mmtt -59.74 -48.28 82.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -121.36 148.93 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.4 p -147.25 177.7 8.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.28 126.36 43.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.3 t -105.87 134.62 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -97.75 145.98 25.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -126.0 132.03 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.36 -53.27 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -112.63 150.33 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.4 p -58.66 -37.34 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -43.87 -63.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m -43.36 -61.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.5 tp -47.02 -60.97 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.3 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.53 -36.21 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -15.13 62.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -78.69 -24.28 45.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.8 p -59.23 -21.81 60.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.99 -2.23 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 17.3 p-10 -71.01 98.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.32 -3.31 11.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 165.34 15.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.92 134.37 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.6 tp -108.38 93.24 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.74 -114.56 6.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.528 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -100.03 20.95 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -145.19 -177.74 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -110.67 171.99 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.2 mt -117.69 143.5 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 101.96 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.6 t -116.34 130.96 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.71 163.21 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 85.4 mt -84.68 118.91 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.85 79.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -44.94 152.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.0 -171.2 16.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -43.54 167.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -158.44 152.7 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -80.96 -179.73 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.21 148.07 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -121.02 113.08 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.7 t -150.64 135.69 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.34 -73.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.91 -31.45 15.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 m -72.08 108.37 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t -130.75 82.32 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.433 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t 68.81 51.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -117.07 149.16 40.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.75 171.02 34.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.8 p -116.4 102.82 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -42.89 -56.86 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.83 166.6 20.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -87.86 166.02 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -93.69 146.57 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 98' ' ' LEU . 26.6 mt -90.39 157.0 45.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.9 123.24 9.55 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.3 m -99.8 38.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -175.13 140.98 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.675 0.75 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.471 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.4 Cg_endo -80.04 168.83 18.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.392 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -104.39 106.43 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 43' ' ' ALA . 25.3 m -108.45 142.99 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' N ' HG23 ' A' ' 42' ' ' THR . . . -126.99 154.44 44.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.4 t80 -113.04 136.91 52.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.87 124.83 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.86 -177.2 14.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.32 48.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.73 144.0 31.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -48.48 155.65 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' A' ' 51' ' ' ASN . 38.3 p90 -70.57 -4.35 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 68.8 m-20 -120.7 39.31 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.8 m -96.11 131.14 42.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.66 168.52 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -46.18 -47.1 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.82 -64.89 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.38 -57.86 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.0 mm -50.37 -61.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -41.36 -43.81 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.73 62.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.3 mt -48.55 -53.82 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.439 ' HB2' ' CD1' ' A' ' 66' ' ' ILE . 31.2 m-85 -101.04 30.07 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -55.04 -51.15 67.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.66 -40.03 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.58 160.88 29.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -91.2 82.21 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 61' ' ' PHE . 90.3 mt -72.39 112.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -63.66 -46.51 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -173.92 140.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.81 124.77 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -107.89 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.4 mt -103.7 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 73' ' ' ARG . 24.0 t -76.7 144.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' HG13 ' A' ' 72' ' ' VAL . 78.5 mtt85 -140.78 150.33 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.75 172.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -95.86 -38.45 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.25 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.7 p -60.6 -20.73 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.77 35.16 11.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -101.37 167.48 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.43 137.35 53.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -81.0 -68.15 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.78 -24.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.52 149.07 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 17.9 p -143.01 156.37 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -111.98 127.97 56.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.9 t -107.53 119.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -88.47 160.31 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.454 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 92.8 m-85 -141.5 176.7 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.66 -49.57 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -110.88 175.44 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 3.9 p -80.2 -42.21 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 3.4 p30 -44.14 -42.53 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.454 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 62.1 m -58.26 -60.89 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.8 tp -53.34 -48.09 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -54.28 -48.91 70.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.82 -26.95 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.62 -30.54 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -66.01 -11.11 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -79.8 -31.07 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.89 -16.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.39 95.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.89 -14.21 4.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.45 164.73 20.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.87 90.11 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.85 -110.89 3.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -99.83 5.78 45.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -130.44 -176.89 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 p -114.66 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.98 140.6 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -128.33 99.66 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.61 118.36 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -139.12 165.73 26.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -66.64 126.13 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.1 88.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -104.16 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 131.69 100.03 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -82.45 -53.46 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -66.14 -51.31 59.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -107.34 110.8 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -102.95 153.23 20.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -62.94 123.98 19.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 t -95.78 88.82 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -91.9 -85.36 1.48 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.67 126.01 12.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.2 m -92.63 -50.06 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.3 p -140.77 143.77 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.518 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 114' ' ' ILE . 39.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.598 0.713 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -48.09 157.04 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.3 m -94.2 -34.48 12.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -148.01 156.6 43.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.653 0.739 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.7 169.6 15.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.72 156.98 92.42 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.352 -0.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 76.5 m-85 -98.72 84.84 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -77.61 141.92 39.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -135.23 144.72 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -103.01 131.57 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.88 109.39 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.11 -176.76 19.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.26 40.7 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.42 144.19 28.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -48.61 159.99 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -67.61 -44.0 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -85.02 54.61 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.661 ' CG2' HD11 ' A' ' 57' ' ' ILE . 96.9 m -109.49 127.9 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' GLN . 29.8 m -131.77 162.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' VAL . 23.9 mt-30 -35.86 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.7 -61.15 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.64 -53.02 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' CG2' ' A' ' 52' ' ' THR . 13.6 mm -52.62 -49.48 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.94 -48.82 60.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.99 76.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.16 -56.53 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 66' ' ' ILE . 65.7 m-85 -100.94 33.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 22.9 pttm -58.88 -53.43 58.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 2.4 m-20 -45.36 -32.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 93' ' ' SER . 43.0 mt -87.66 -179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -112.52 106.47 14.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 61' ' ' PHE . 53.7 mt -95.52 115.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -73.2 -50.84 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 t -150.33 161.99 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -136.69 141.96 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -126.63 115.81 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 84' ' ' CYS . 50.9 mt -102.57 153.4 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' CE1' ' A' ' 83' ' ' PHE . 91.0 t -104.78 148.61 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -152.39 144.44 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.08 167.94 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.53 -31.44 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -85.36 -70.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.7 p -62.32 -46.86 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t70 74.1 40.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -130.47 149.69 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -39.25 127.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -78.67 -42.09 29.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.63 -12.42 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CE1' HG21 ' A' ' 72' ' ' VAL . 37.1 p90 -126.97 145.2 50.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.474 ' HB2' HD23 ' A' ' 71' ' ' LEU . 28.2 p -150.05 159.03 44.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.87 125.38 53.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.29 138.09 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.59 144.0 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 98.8 m-85 -124.41 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.78 -71.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -101.49 172.18 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 4.9 p -67.81 -35.19 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.09 -56.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.468 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 2.2 m -50.84 -52.94 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 43' ' ' ALA . 21.6 tp -55.31 -55.58 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.47 -48.28 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.87 -34.83 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.77 -19.69 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.55 -13.52 60.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -80.79 5.46 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.507 ' HB2' HG21 ' A' ' 112' ' ' VAL . 31.3 m-85 -97.12 0.91 49.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -74.58 81.81 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.92 -13.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.95 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.77 133.71 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.1 tp -107.54 94.96 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.56 -114.48 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -98.59 22.09 10.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -147.41 178.45 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -110.17 172.68 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.13 146.86 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.33 100.84 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.7 t -114.88 123.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.33 155.49 42.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -71.78 115.36 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.834 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.7 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.651 0.738 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.15 131.24 17.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 t -82.64 -31.43 28.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -145.79 149.26 39.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.4 Cg_endo -67.72 169.65 15.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 177.91 27.16 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 -0.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 50.3 m-85 -119.44 116.29 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.3 m -106.95 140.23 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.6 147.46 50.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.9 t80 -106.42 126.49 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.93 110.14 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.83 -175.06 15.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.1 51.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 57' ' ' ILE . 17.7 mt -116.85 144.09 32.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.89 166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -72.74 -20.48 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -101.72 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.3 m -110.0 135.17 51.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.28 175.69 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.36 -55.18 7.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -47.52 -53.49 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.99 -58.2 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.751 HD11 HD13 ' A' ' 48' ' ' LEU . 18.1 mm -56.93 -56.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -47.09 -36.86 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.8 -46.0 76.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.93 -41.26 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.716 ' HB2' HD11 ' A' ' 66' ' ' ILE . 57.5 m-85 -103.11 31.91 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.43 -8.43 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.01 -31.68 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 14.7 mt -95.57 166.88 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -87.28 119.49 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 61' ' ' PHE . 86.4 mt -113.92 107.09 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -64.37 -46.47 83.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 t -171.34 152.89 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.8 138.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -118.6 103.51 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 84' ' ' CYS . 41.2 mt -88.85 123.87 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 83' ' ' PHE . 67.4 t -80.64 127.04 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -135.56 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.59 -178.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -110.03 -27.22 9.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.53 -65.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.2 p -69.97 -31.1 68.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.93 45.94 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -122.65 169.1 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -56.6 143.79 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -97.43 -49.57 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 140.97 -23.33 2.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.405 ' HE1' HG21 ' A' ' 72' ' ' VAL . 39.1 p90 -123.32 140.69 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 71' ' ' LEU . 11.7 p -145.47 163.11 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -119.35 128.65 54.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.21 145.94 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -107.53 134.07 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.09 153.72 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.02 -66.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 13.2 p -80.41 -35.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.41 -48.95 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 m -52.58 -59.96 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.8 tp -51.43 -57.81 7.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' A' ' 98' ' ' LEU . 17.3 tttp -47.22 -37.56 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.02 -37.93 57.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -68.4 -16.52 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 95' ' ' LYS . 85.2 mt -72.24 -27.76 62.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -60.32 -18.12 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.32 -5.55 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -69.51 77.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.32 -9.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.8 159.71 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 mt -104.34 140.43 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.648 HD22 HD21 ' A' ' 110' ' ' LEU . 41.7 tp -111.88 89.95 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.24 -114.88 7.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.28 16.91 20.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -141.01 179.53 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -110.54 168.0 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.648 HD21 HD22 ' A' ' 105' ' ' LEU . 73.3 mt -116.87 145.46 43.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -134.06 99.26 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.97 132.89 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.7 156.71 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.51 127.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.825 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD11 ' HE2' ' A' ' 95' ' ' LYS . 91.6 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.571 0.7 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -70.06 126.19 12.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.3 p -69.84 -40.96 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -141.5 161.1 54.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.68 169.61 15.61 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.76 175.02 38.2 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.385 -0.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -122.26 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.2 m -95.33 129.17 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -120.61 145.58 47.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -104.06 130.87 51.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.83 123.01 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.23 -174.58 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.18 41.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD13 HG21 ' A' ' 52' ' ' THR . 77.9 mt -102.41 150.95 38.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.61 146.94 7.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.88 -45.38 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.39 77.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.457 HG21 HD13 ' A' ' 48' ' ' LEU . 59.2 m -101.12 125.8 47.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.87 154.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -40.92 -42.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.01 38.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -49.16 -62.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 60' ' ' ILE . 48.0 mm -50.29 -51.31 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -49.11 -39.31 27.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.56 -42.08 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 57' ' ' ILE . 46.4 mt -58.45 -57.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -96.74 27.94 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -32.43 66.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -35.96 82.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.66 179.41 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -99.18 88.48 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 44.4 mt -77.7 126.58 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -90.83 -49.53 6.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -162.26 149.56 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.62 104.45 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -85.88 116.26 24.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 84' ' ' CYS . 69.9 mt -101.68 118.76 37.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' HG3' ' A' ' 81' ' ' LYS . 41.1 t -81.9 126.19 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -133.3 142.66 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -53.39 177.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -110.39 -23.31 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.87 -48.44 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -91.29 -33.61 15.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.61 45.2 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -120.07 148.9 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CZ ' ' C ' ' A' ' 82' ' ' GLY . 41.4 t80 -48.96 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.9 mmtt -46.63 -46.86 20.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 145.94 -29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -116.12 172.6 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.818 ' HB3' HD23 ' A' ' 71' ' ' LEU . 28.2 p -161.61 152.49 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -102.58 122.86 45.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.1 t -104.98 122.61 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -92.43 138.8 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.25 163.77 15.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -82.97 -65.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.13 175.27 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.73 -33.15 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.38 -46.69 73.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -55.96 -56.23 23.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.9 tp -51.26 -61.2 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.619 ' HA ' HD12 ' A' ' 98' ' ' LEU . 37.5 tttm -46.98 -52.81 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -34.22 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.23 -21.09 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 95' ' ' LYS . 49.8 mt -72.51 -12.82 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -86.5 -26.32 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.78 -17.25 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.57 101.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.72 -17.89 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.27 172.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.7 mt -111.65 131.25 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 HD21 ' A' ' 110' ' ' LEU . 28.2 tp -100.78 90.67 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.28 -113.68 5.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.97 12.17 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -136.03 -179.52 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -107.58 163.43 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.431 HD21 HD22 ' A' ' 105' ' ' LEU . 49.8 mt -108.79 140.89 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -134.62 99.59 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 t -113.05 122.46 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -135.96 150.91 49.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.91 129.32 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -45.14 133.35 11.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.396 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.1 p -78.69 -29.35 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -149.28 152.54 36.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 39.3 Cg_endo -68.08 169.55 16.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.83 175.59 36.19 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.36 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.0 m-85 -123.11 111.09 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 m -109.71 147.02 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -125.7 148.4 49.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.6 t80 -99.48 129.53 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -132.13 109.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.11 -179.66 17.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.91 51.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.52 144.09 29.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.98 164.71 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -70.02 -36.12 74.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.09 46.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -106.76 136.93 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.56 171.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -41.06 -55.18 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -50.41 -61.54 5.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 7.2 t0 -35.32 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -50.65 -39.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 24.4 t70 -56.82 -38.68 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.27 63.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.53 -41.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 66' ' ' ILE . 71.2 m-85 -113.84 32.93 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.37 -18.55 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.64 -38.29 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.3 mt -86.82 -177.57 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -96.96 113.91 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 61' ' ' PHE . 94.3 mt -103.68 114.44 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -81.14 -58.13 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 t -157.12 148.32 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.9 t -120.69 104.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -88.9 101.06 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.589 HD23 ' CB ' ' A' ' 84' ' ' CYS . 26.7 mt -83.73 117.57 23.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.81 149.25 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 173.47 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' CG ' ' HD3' ' A' ' 81' ' ' LYS . 3.5 m-20 -81.22 176.73 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -98.18 -28.37 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -99.83 -55.43 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.1 p -77.58 -29.61 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.99 48.51 20.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' PHE . 16.5 mtpt -123.88 137.23 54.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LYS . 22.6 t80 -34.82 111.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD3' ' CG ' ' A' ' 74' ' ' ASP . 2.9 mmmp? -60.01 -43.9 94.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.423 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 149.32 -27.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -116.68 153.95 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.589 ' CB ' HD23 ' A' ' 71' ' ' LEU . 22.0 p -149.19 156.62 42.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -103.99 122.21 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.59 126.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.72 154.88 17.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.41 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 80.0 m-85 -129.97 166.39 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -70.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -99.49 -177.25 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 7.5 p -81.89 -30.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.42 -46.31 73.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.466 ' HA ' HD22 ' A' ' 64' ' ' LEU . 2.5 m -55.79 -50.12 71.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.72 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 21.3 tp -60.46 -58.4 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.72 ' HA ' HD12 ' A' ' 98' ' ' LEU . 2.6 ttpm? -44.21 -43.0 6.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -70.43 -35.86 73.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.61 -20.27 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 95' ' ' LYS . 65.4 mt -70.01 -14.73 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.9 p -78.47 -27.89 46.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -57.87 -13.54 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.51 87.23 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 -7.91 2.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.76 168.78 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.13 132.57 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.476 HD22 HD21 ' A' ' 110' ' ' LEU . 25.4 tp -109.05 96.45 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.54 -116.34 8.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.0 19.41 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -144.54 -175.11 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -112.56 -177.52 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.476 HD21 HD22 ' A' ' 105' ' ' LEU . 41.4 mt -130.27 147.41 51.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -132.41 102.85 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -115.1 120.57 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -139.06 158.55 43.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.84 110.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.813 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 98' ' ' LEU . 94.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.614 0.721 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -45.63 131.13 12.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -73.35 -25.06 60.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.64 152.75 29.31 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.74 169.65 15.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.79 177.65 28.23 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -122.71 106.76 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.1 m -118.71 142.64 47.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.791 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -123.04 143.42 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.61 134.83 34.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 t -132.45 125.33 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.55 -179.55 15.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.46 39.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.8 mt -94.66 156.64 38.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -48.09 160.97 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -58.5 -50.46 73.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -108.6 76.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -100.89 126.39 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' GLN . 25.0 m -115.95 158.85 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' VAL . 32.2 tt0 -36.95 -50.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -43.2 -57.79 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -45.42 -68.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.339 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.594 ' HA ' HD12 ' A' ' 60' ' ' ILE . 33.7 mm -46.77 -54.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -27.37 3.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.64 -39.41 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 57' ' ' ILE . 66.9 mt -55.68 -43.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.719 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.3 m-85 -107.93 29.05 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 10.2 ptmm? -51.66 -46.72 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 33.8 t70 -47.99 -49.07 31.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.13 172.16 12.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -100.04 88.78 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 61' ' ' PHE . 28.5 mt -75.28 135.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -98.48 -47.43 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 t -154.74 153.14 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.16 115.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -98.16 112.74 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 84' ' ' CYS . 40.6 mt -99.29 115.1 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -73.0 144.75 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -147.98 161.24 41.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.14 -175.28 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -116.6 -39.59 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -43.94 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.5 p -95.67 -37.19 10.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 65.71 46.7 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -107.84 171.74 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 81' ' ' LYS . 49.0 t80 -77.11 91.47 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' PHE . 10.8 mmmt -35.97 -44.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.08 -13.47 6.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -126.54 145.86 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.414 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.8 p -147.37 155.7 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -104.3 125.68 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' A' ' 88' ' ' PHE . 87.0 t -104.51 122.47 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -91.32 159.53 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CE1' HG12 ' A' ' 86' ' ' VAL . 83.1 m-85 -142.31 154.51 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -71.72 -47.54 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -118.4 176.5 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -79.59 -37.55 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -41.22 -56.48 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.469 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 20.0 m -48.15 -54.61 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.9 tp -56.3 -52.93 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 98' ' ' LEU . 30.4 tttp -45.23 -37.47 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.34 -42.65 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.17 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 35' ' ' LEU . 79.9 mt -70.45 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 p -91.13 -10.95 40.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.42 1.5 37.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -77.46 46.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.72 -36.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.51 169.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 104' ' ' LEU . 10.3 mt -117.09 128.27 54.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.2 tp -105.65 94.01 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.98 -114.57 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -99.84 13.09 34.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -136.93 178.14 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 p -106.89 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.99 135.25 55.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -126.94 102.33 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -118.05 122.6 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.33 169.89 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.2 mt -87.57 120.48 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.78 156.59 64.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m -106.4 -38.31 6.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.09 153.91 75.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.491 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.76 169.57 15.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.85 168.5 67.59 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.21 102.04 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -109.8 148.18 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.24 145.19 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -97.58 141.61 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.7 t -139.52 123.55 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 -176.09 14.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.11 48.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.88 143.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.81 162.58 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.61 -36.62 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -85.92 47.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -105.2 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -114.59 154.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -37.67 -44.06 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.62 -59.15 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.61 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.7 mm -45.47 -49.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.73 -42.48 57.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.33 76.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 57' ' ' ILE . 62.7 mt -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -91.92 24.04 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -34.66 16.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -66.69 -38.53 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 96' ' ' GLU . 83.5 mt -82.91 -179.29 7.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 m -97.7 125.37 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.26 111.49 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -83.57 -37.52 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -171.18 148.49 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.34 114.75 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -95.38 111.08 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 84' ' ' CYS . 36.9 mt -93.04 116.84 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 83' ' ' PHE . 60.5 t -64.4 122.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -111.94 174.36 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.71 -179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -96.79 -20.66 18.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.18 -70.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -63.57 -24.52 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.53 39.84 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' PHE . 15.0 mmmt -121.62 157.96 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' LYS . 26.8 t80 -35.06 152.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -116.2 -39.37 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.62 -38.31 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' A' ' 72' ' ' VAL . 4.8 p90 -111.53 154.6 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.539 ' HB3' HD23 ' A' ' 71' ' ' LEU . 1.7 p -148.84 163.15 38.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -114.07 125.73 54.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.9 t -103.27 133.16 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.23 135.17 41.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 97.9 m-85 -116.38 154.29 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -66.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -100.99 173.44 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 92' ' ' ASP . 9.6 p -68.3 -48.79 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 91' ' ' VAL . 6.7 m-20 -36.44 -60.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.55 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 37.5 m -40.91 -53.25 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.627 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.6 tp -60.78 -69.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LEU . 26.4 ttpt -35.68 -45.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.75 -53.72 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.44 -38.47 43.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.17 -18.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 96' ' ' GLU . 46.6 p -76.45 -36.86 57.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB2' HG21 ' A' ' 112' ' ' VAL . 17.7 m-85 -47.82 -20.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.76 84.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' TYR . . . 144.97 -13.01 1.91 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.43 169.12 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -114.84 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.64 98.06 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.5 -116.76 9.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.09 18.48 17.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.344 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -142.02 174.42 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.6 m -101.03 179.04 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 mt -124.86 143.8 50.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -134.66 99.35 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 100' ' ' TYR . 5.2 t -110.88 129.84 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.28 154.7 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.9 mt -70.91 112.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.818 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -46.31 134.97 15.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.1 p -87.58 -34.55 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -149.96 152.94 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.673 0.749 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.5 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 43.6 Cg_endo -70.28 169.29 19.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 164.59 78.74 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.372 -0.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 49.6 m-85 -106.77 122.08 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -120.91 138.94 53.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.994 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.23 144.38 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 1.2 t80 -96.37 129.83 43.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.3 103.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.14 -174.95 18.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.84 47.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 57' ' ' ILE . 20.1 mt -118.24 144.04 34.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -48.97 160.66 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.74 -41.5 92.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.9 44.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 m -99.41 134.05 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.84 161.35 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -41.87 -43.33 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -52.64 -65.08 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -38.15 -51.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 48' ' ' LEU . 46.5 mm -56.24 -56.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -41.73 -41.76 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.81 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -54.72 -38.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 66' ' ' ILE . 69.6 m-85 -111.46 30.65 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.42 -12.33 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.18 -25.45 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 61' ' ' PHE . 33.5 mt -99.4 155.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -76.89 123.98 27.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 61' ' ' PHE . 62.1 mt -119.08 108.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -79.62 -44.66 20.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -162.08 155.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.45 125.3 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -102.26 104.27 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.691 HD23 ' HB3' ' A' ' 84' ' ' CYS . 31.4 mt -84.32 104.83 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 83' ' ' PHE . 47.1 t -54.14 122.83 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -138.99 166.05 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.68 -177.34 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -95.22 -48.32 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.32 -64.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 71.7 p -65.95 -34.32 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' THR . 3.4 p30 49.01 39.35 14.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' PHE . 78.7 mttt -111.83 130.68 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LYS . 39.3 t80 -35.93 107.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -55.07 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.9 -28.2 0.13 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 72' ' ' VAL . 10.1 p90 -114.55 146.01 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.691 ' HB3' HD23 ' A' ' 71' ' ' LEU . 20.4 p -139.24 161.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -115.67 128.35 55.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.2 t -102.78 137.98 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.55 116.04 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 59.4 m-85 -97.13 137.84 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.21 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -97.55 177.16 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 7.2 p -81.03 -26.06 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.25 -45.79 92.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.582 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 4.8 m -52.36 -58.83 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 43' ' ' ALA . 14.7 tp -56.51 -52.18 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -48.5 -39.86 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 tp10 -70.85 -45.22 64.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.04 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.44 -17.77 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 96' ' ' GLU . 15.0 p -79.5 -23.61 42.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.36 -10.51 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 18.6 p-10 -70.0 93.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -9.87 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.6 158.36 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.86 148.83 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.9 tp -106.83 90.15 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.13 -110.42 3.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.09 16.09 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -140.58 -175.16 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -115.21 162.11 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 mt -112.77 144.42 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -130.94 99.23 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.03 131.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -157.83 148.77 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.89 123.08 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.838 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.43 131.6 22.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.75 2.3 . . . . 0.0 112.343 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -97.08 -12.1 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.73 144.55 18.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.2 Cg_endo -72.58 169.07 22.74 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.4 Cg_endo -69.77 172.88 46.99 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.328 -0.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -117.77 94.04 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.3 m -91.32 142.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.63 149.75 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -103.76 127.56 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.95 118.56 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.16 -176.32 14.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.72 52.13 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HD11 ' A' ' 57' ' ' ILE . 19.1 mt -112.81 143.44 29.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 54.5 Cg_exo -49.12 162.84 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.83 -42.51 90.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -82.69 44.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -106.19 122.95 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.69 176.77 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -41.19 -47.94 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.18 -61.27 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.7 t70 -35.14 -60.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.488 HD11 HD13 ' A' ' 48' ' ' LEU . 11.8 mm -54.21 -42.01 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' GLY . 32.2 t70 -56.25 -33.93 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.35 -36.55 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.55 -50.43 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.786 ' HB2' HD11 ' A' ' 66' ' ' ILE . 38.3 m-85 -97.65 28.38 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -60.81 -11.3 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.13 -12.44 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 71.9 mt -111.66 163.51 14.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 p -85.26 92.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 61' ' ' PHE . 39.8 mt -86.79 112.96 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -76.73 -43.67 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -172.66 155.7 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.04 150.92 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -122.92 109.76 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.6 HD23 ' CB ' ' A' ' 84' ' ' CYS . 29.2 mt -103.86 129.34 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 73' ' ' ARG . 65.2 t -101.28 159.08 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.531 ' N ' HG12 ' A' ' 72' ' ' VAL . 41.4 mtt85 -148.46 146.31 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.422 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 4.0 t70 -62.48 -175.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.85 -70.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -34.08 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.9 p -104.72 -22.73 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 49.82 26.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -100.49 152.35 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -54.33 117.61 3.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 74' ' ' ASP . 7.3 mmmm -59.66 -67.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.44 33.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -162.63 155.98 20.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.6 ' CB ' HD23 ' A' ' 71' ' ' LEU . 20.2 p -161.14 147.9 14.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -98.11 121.81 40.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.4 122.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -93.68 135.34 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -108.88 177.72 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.44 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -104.18 153.37 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.68 -31.99 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -61.17 -46.61 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 m -50.9 -56.21 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 43' ' ' ALA . 11.4 tp -59.0 -48.35 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -48.17 -41.27 26.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -72.01 -37.96 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -66.94 -18.48 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.62 -25.14 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 p -65.76 -14.38 61.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -79.55 2.07 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 14.7 p-10 -72.43 86.77 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.49 4.98 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 171.88 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.7 mt -119.18 128.92 54.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 tp -105.47 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.92 -115.07 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -99.29 18.53 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 49' ' ' PRO . 30.8 mtt180 -141.07 -176.35 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.6 p -110.67 177.75 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -124.24 138.95 54.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -125.06 100.76 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.9 127.63 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -152.23 158.15 42.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.92 124.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' CD1' ' A' ' 114' ' ' ILE . 19.9 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.8 140.92 52.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 p -83.25 -37.04 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.32 155.18 75.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 37.1 Cg_endo -66.57 169.86 13.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.77 173.95 42.56 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.36 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.08 94.95 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -99.49 146.04 26.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -136.69 153.48 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -105.53 142.26 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -136.34 119.93 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.06 -175.28 17.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.89 54.61 8.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.8 mt -101.36 152.27 37.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.12 141.84 6.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -45.34 -46.36 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -109.81 79.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.2 m -105.32 144.09 32.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.0 m -136.55 154.62 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tt0 -36.44 -39.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.5 -45.91 93.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' VAL . 15.9 m-20 -52.87 -55.63 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.8 mm -54.76 -45.36 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -56.59 -34.44 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.08 59.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.42 -56.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 66' ' ' ILE . 61.3 m-85 -101.77 29.57 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -54.28 -24.47 19.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -27.73 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 93' ' ' SER . 51.3 mt -93.53 168.73 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 110.71 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 61' ' ' PHE . 65.5 mt -105.83 118.61 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -76.31 -44.99 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 t -174.67 150.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.89 138.09 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -105.17 112.87 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -102.35 133.27 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 73' ' ' ARG . 56.4 t -109.03 153.45 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 72' ' ' VAL . 49.5 mtp180 -141.46 174.38 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.08 176.79 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -105.4 -21.22 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -111.09 -68.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -24.99 67.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.2 t0 52.56 43.14 31.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -111.02 168.87 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -70.13 98.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -41.84 -59.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.14 25.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -155.98 147.73 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -158.14 160.09 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -111.77 134.96 52.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.36 135.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.73 143.38 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 47.8 m-85 -121.24 135.7 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -65.23 -62.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -100.1 173.0 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 92' ' ' ASP . 14.4 p -72.87 -49.08 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 91' ' ' VAL . 1.3 p30 -44.79 -40.65 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.581 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.1 m -53.82 -48.54 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.625 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.3 tp -68.33 -47.98 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.567 ' CD ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -49.68 -43.85 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.72 -37.94 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 114' ' ' ILE . 53.0 mt -74.12 -17.27 60.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.3 p -76.16 -7.94 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.419 ' HB2' HG21 ' A' ' 112' ' ' VAL . 50.5 m-85 -83.52 -1.61 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -76.61 66.28 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.24 32.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.0 128.51 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.65 128.54 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -100.42 90.32 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.47 -115.87 8.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -97.68 26.56 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -144.64 176.25 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -115.87 161.4 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -127.41 138.84 53.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -132.11 99.59 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 100' ' ' TYR . 19.3 t -110.04 135.09 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -154.52 152.18 29.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.7 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.6 mt -71.39 113.7 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.2 149.09 63.6 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.7 p -96.05 -33.73 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -149.78 152.21 34.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.79 169.62 15.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.0 Cg_endo -69.82 151.15 91.32 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.358 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 68.5 m-85 -90.71 107.21 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 m -103.74 141.26 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.14 148.52 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -107.84 128.03 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.45 116.12 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.97 -179.7 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.5 40.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 52' ' ' THR . 65.5 mt -95.59 152.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.73 165.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.09 -43.35 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.79 79.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.681 HG21 HD13 ' A' ' 48' ' ' LEU . 53.0 m -101.89 120.15 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.9 m -108.45 153.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' VAL . 17.1 tt0 -36.74 -49.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -44.71 -62.69 2.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.6 t70 -35.04 -54.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -57.23 -50.12 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.49 -37.12 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.06 53.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.99 -38.35 76.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -117.05 32.24 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -59.77 -48.87 79.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.43 -39.52 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 93' ' ' SER . 19.1 mt -85.15 177.96 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -109.51 108.68 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.33 117.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -73.72 -41.55 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -163.68 166.94 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.52 125.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -111.32 117.3 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 84' ' ' CYS . 69.1 mt -99.93 131.14 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -85.85 111.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -97.76 172.21 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.75 -178.36 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -107.25 -39.89 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.6 p -72.03 -27.69 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 63.54 34.36 12.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -109.2 160.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -46.73 124.09 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -68.61 -71.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.12 -23.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -130.55 147.37 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.468 ' CB ' HD23 ' A' ' 71' ' ' LEU . 27.5 p -143.68 166.65 24.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -113.99 127.74 56.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.65 137.01 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.17 128.06 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 61.3 m-85 -106.54 154.38 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -81.88 -47.88 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -118.99 157.68 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.531 HG22 ' HG3' ' A' ' 95' ' ' LYS . 10.7 p -60.9 -33.26 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' A' ' 93' ' ' SER . 0.6 OUTLIER -51.01 -54.04 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.664 ' HA ' HD22 ' A' ' 64' ' ' LEU . 19.0 m -48.34 -58.06 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.6 tp -57.22 -56.49 21.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' A' ' 91' ' ' VAL . 7.0 mtpt -45.99 -37.34 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.79 -39.56 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.48 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.24 -15.33 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -81.19 -8.96 59.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 112' ' ' VAL . 20.3 m-85 -76.65 -6.06 50.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -75.5 105.61 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.19 -17.16 7.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.29 155.7 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.4 137.05 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.744 HD22 HD21 ' A' ' 110' ' ' LEU . 18.7 tp -112.63 94.92 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.68 -116.14 7.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.96 14.39 30.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -142.67 175.85 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -100.26 178.82 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.744 HD21 HD22 ' A' ' 105' ' ' LEU . 52.1 mt -124.06 146.08 48.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 102.64 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.6 t -114.88 113.5 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.25 157.29 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.87 127.61 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.19 159.04 54.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.7 m -112.26 -38.23 4.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -127.52 139.59 35.65 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.9 Cg_endo -77.14 168.86 22.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.75 179.8 21.27 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.346 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 7.7 m-85 -119.88 127.04 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.8 m -118.58 125.15 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -109.37 142.1 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.6 133.82 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -133.25 130.61 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.93 -178.78 15.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 40.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HG21 ' A' ' 52' ' ' THR . 15.2 mt -97.03 156.34 36.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.39 164.24 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -58.05 -46.89 84.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 51' ' ' ASN . 15.2 p-10 -106.31 74.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.488 HG21 HD13 ' A' ' 48' ' ' LEU . 32.1 m -96.51 122.53 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.16 167.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -45.98 -54.85 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.95 8.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -37.85 -50.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.0 -53.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -44.7 -32.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.33 -46.44 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.83 -54.1 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.53 31.83 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.7 -35.93 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.71 -41.08 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.6 mt -76.86 178.35 6.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -97.64 97.26 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 48.7 mt -91.05 122.33 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -91.83 -60.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 76.2 p -147.06 131.65 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.56 116.32 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -103.26 108.43 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 84' ' ' CYS . 25.5 mt -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.477 HG21 ' CE2' ' A' ' 83' ' ' PHE . 42.9 t -65.4 138.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -144.85 173.7 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -86.87 -177.98 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -107.71 -24.08 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.56 -68.26 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.3 p -70.16 -42.25 72.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 72.78 40.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -113.46 169.58 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.483 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 34.6 t80 -61.73 132.67 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -85.12 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.14 -32.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 72' ' ' VAL . 33.8 p90 -117.39 164.0 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.436 ' CB ' HD23 ' A' ' 71' ' ' LEU . 18.9 p -158.79 149.3 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -98.3 121.37 40.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.78 119.66 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -87.25 133.82 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 83.5 m-85 -111.89 173.36 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.09 -68.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -91.97 153.37 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.51 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -45.55 77.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.537 ' HA ' HD22 ' A' ' 64' ' ' LEU . 3.6 m -52.78 -59.78 4.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.608 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 8.8 tp -53.68 -56.92 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -47.67 -32.2 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -78.6 -48.76 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.34 -36.17 52.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.5 mt -52.51 -22.78 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.1 p -77.07 -35.39 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -52.38 -16.78 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.5 90.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.47 -18.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.0 175.07 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -111.45 132.38 54.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 tp -104.6 93.94 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.0 8.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.49 22.05 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -148.5 -178.93 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -103.93 176.73 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.7 mt -118.5 142.79 47.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -134.51 101.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.87 130.95 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -155.64 151.27 27.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.67 139.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.766 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.628 0.728 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 66.0 Cg_exo -46.85 132.54 17.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -67.86 -45.57 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -151.2 156.98 35.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.726 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.65 169.63 15.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.0 Cg_endo -69.72 145.74 80.17 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.361 -0.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 30.5 m-85 -92.88 106.67 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -121.59 138.1 54.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 3.3 t80 -99.37 139.32 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.23 127.07 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.77 -174.43 14.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.36 45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 mt -103.56 150.38 38.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.16 162.81 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.4 -39.59 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -110.39 73.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -97.05 129.21 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.1 m -117.83 150.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.3 tt0 -37.26 -49.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.62 -61.71 4.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.6 t70 -37.49 -58.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.57 -49.93 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -50.29 -31.3 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.46 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.77 -57.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -94.74 26.26 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.43 -34.85 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.17 -40.61 94.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 93' ' ' SER . 29.1 mt -84.25 167.37 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 m -85.5 108.51 17.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.2 125.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -89.29 -50.4 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -164.6 147.37 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -113.32 108.07 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.9 mt -96.84 148.46 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 ' HG3' ' A' ' 81' ' ' LYS . 58.4 t -104.58 142.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -134.62 153.26 52.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.72 178.65 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.82 -39.89 10.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.13 -70.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 p -66.2 -16.15 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 42.75 46.82 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -120.95 169.4 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 31.1 t80 -50.93 143.83 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' HG3' HG12 ' A' ' 72' ' ' VAL . 26.6 mmtt -94.3 -55.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 151.12 -15.54 0.88 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -132.77 145.67 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 p -144.28 166.01 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.7 m-85 -120.84 127.41 51.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -101.98 139.06 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -102.01 135.97 42.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -120.64 157.99 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.97 -68.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -92.2 162.61 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 4.4 p -71.98 -26.48 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -56.36 -51.64 67.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.45 ' HA ' HD22 ' A' ' 64' ' ' LEU . 30.3 m -48.73 -59.07 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.83 HD13 ' HB2' ' A' ' 43' ' ' ALA . 16.2 tp -57.51 -58.1 9.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -40.86 -39.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -77.06 -48.81 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.94 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.85 -28.21 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.0 p -62.02 -16.21 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.22 -0.16 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -73.74 81.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.04 -4.11 2.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.83 168.15 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -114.06 133.54 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 110' ' ' LEU . 55.6 tp -109.9 95.15 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.99 -118.07 13.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.14 25.18 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -148.22 -179.34 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 t -111.28 170.1 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 105' ' ' LEU . 28.7 mt -116.96 139.56 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -128.77 99.67 5.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.75 127.78 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -152.07 162.95 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -76.34 128.79 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.86 153.52 68.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 p -100.97 -14.95 17.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -165.05 156.32 12.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.9 Cg_endo -67.73 169.62 15.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.71 162.16 84.56 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.327 -0.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.94 99.22 8.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -112.03 139.01 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -124.31 140.8 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.38 129.23 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 112' ' ' VAL . 62.0 t -125.73 110.98 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.89 -172.48 17.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 61.59 49.98 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 mt -111.39 155.65 42.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.21 156.09 4.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -63.08 -27.19 69.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.28 67.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -100.24 117.25 34.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLN . 11.5 m -109.42 153.6 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' VAL . 31.4 tt0 -34.85 -64.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -38.52 -57.96 1.79 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.424 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -35.81 -64.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.5 mm -52.13 -50.25 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -48.3 -34.71 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 -38.98 49.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 57' ' ' ILE . 45.5 mt -56.8 -43.67 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.47 34.12 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -58.58 -23.3 58.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.43 -41.94 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 93' ' ' SER . 27.2 mt -85.47 176.16 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -98.67 117.71 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.1 mt -103.33 115.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -74.91 -51.42 13.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 m -158.62 143.8 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.62 131.36 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -118.59 107.64 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.8 mt -88.1 107.29 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.862 HG23 ' HA ' ' A' ' 84' ' ' CYS . 19.5 t -60.95 135.02 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -148.55 -179.17 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.88 -178.86 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -87.86 -58.78 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.51 -64.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 60.7 p -65.56 -31.22 72.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 77' ' ' THR . 5.9 p-10 45.46 46.96 10.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -105.03 143.29 33.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -44.24 103.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HD3' HG12 ' A' ' 72' ' ' VAL . 18.3 mtpt -62.09 -39.18 91.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 -34.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 72' ' ' VAL . 31.4 p90 -114.98 166.18 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.862 ' HA ' HG23 ' A' ' 72' ' ' VAL . 6.7 p -158.66 162.17 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -112.38 126.21 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 88' ' ' PHE . 20.9 t -102.71 138.61 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -111.27 127.49 55.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 51.0 m-85 -107.13 170.83 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -84.08 -53.13 5.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.27 170.67 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.97 -23.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.71 -62.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.558 ' HA ' HD22 ' A' ' 64' ' ' LEU . 13.7 m -43.61 -60.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.4 tp -49.15 -48.29 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -52.59 -39.74 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -80.28 -29.67 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.83 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.59 -25.75 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -4.49 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -90.27 0.53 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -77.64 47.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.17 -32.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.83 159.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.02 128.5 53.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.85 HD22 HD21 ' A' ' 110' ' ' LEU . 39.4 tp -107.42 103.23 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.69 -118.51 14.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -98.59 21.25 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -147.16 -178.78 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.7 m -110.59 174.95 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.85 HD21 HD22 ' A' ' 105' ' ' LEU . 67.3 mt -120.99 141.61 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -127.71 103.48 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 2.7 t -116.64 133.8 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.24 163.59 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.2 140.27 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 21.5 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.45 145.22 64.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -108.69 34.0 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.55 139.01 0.79 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.0 Cg_endo -79.9 168.73 18.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.74 -179.88 20.38 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.313 -0.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 91' ' ' VAL . 98.1 m-85 -111.6 110.64 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 m -109.34 145.68 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.801 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -137.59 135.01 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -92.09 136.75 32.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.5 121.09 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.54 -175.92 14.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 42.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 57' ' ' ILE . 27.8 mt -104.19 152.67 39.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.723 . . . . 0.0 110.962 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -46.33 153.38 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -54.85 -45.15 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -104.86 74.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.4 m -106.93 133.79 51.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 m -119.32 167.53 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.76 -50.05 18.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.87 -58.51 4.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -41.66 -58.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 48' ' ' LEU . 26.8 mm -55.56 -52.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 t70 -47.35 -34.03 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 -43.02 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.94 -45.77 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 66' ' ' ILE . 36.4 m-85 -109.44 33.58 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 63' ' ' ASP . 21.0 pttm -58.63 -51.41 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 21.2 m-20 -49.83 -38.4 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 61' ' ' PHE . 76.7 mt -75.39 172.84 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -100.26 85.14 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 61' ' ' PHE . 58.1 mt -72.6 104.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -44.65 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -169.54 145.28 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.52 132.11 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -115.38 107.09 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 84' ' ' CYS . 14.4 mt -96.49 110.68 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.19 144.3 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -142.73 145.69 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.37 174.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -105.58 -0.34 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.68 -64.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 p -86.68 -25.18 24.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.73 42.97 10.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -113.05 168.7 9.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.12 114.78 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -66.59 -31.89 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.06 12.14 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.32 142.0 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.629 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.4 p -145.82 169.63 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -115.87 135.18 54.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.99 133.29 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.89 138.26 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -120.03 140.11 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.03 -68.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -109.47 172.91 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 41' ' ' TYR . 9.8 p -67.31 -33.68 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -46.4 -60.19 2.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -53.81 -61.08 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.801 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 9.6 tp -42.88 -49.01 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 98' ' ' LEU . 13.3 ttpp -59.16 -51.74 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.55 -23.64 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.74 -28.57 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 55.4 mt -66.43 -8.79 28.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.9 p -86.43 -16.04 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.76 -13.56 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 11.0 p-10 -58.35 90.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.93 -7.01 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.4 162.34 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -110.69 131.97 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.45 99.72 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.26 -114.42 6.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.85 24.66 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -149.27 179.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 m -108.16 -179.36 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 mt -123.6 144.24 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.98 100.66 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.52 131.15 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.45 154.84 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -72.27 116.43 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.786 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 98' ' ' LEU . 45.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 54.2 Cg_exo -49.21 147.06 12.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -102.27 -26.42 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 6.5 tp10 -145.83 140.48 15.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.7 Cg_endo -72.58 169.06 22.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.78 178.82 24.18 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.331 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 47.7 m-85 -120.79 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' GLU . 4.4 m -110.24 133.58 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.912 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -114.92 145.84 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -106.47 120.48 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.01 112.7 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.57 -172.46 17.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.04 41.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' A' ' 80' ' ' PHE . 25.6 mt -104.52 153.29 39.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.5 157.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 51' ' ' ASN . 16.5 p90 -51.43 -41.96 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 7.5 t-20 -116.99 80.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.1 m -106.31 139.71 40.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.47 156.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -21.78 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.66 -61.13 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.61 -58.24 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 86' ' ' VAL . 49.3 mm -51.38 -41.22 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.03 -42.86 77.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.46 -45.98 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 57' ' ' ILE . 57.4 mt -51.08 -41.8 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -106.56 26.33 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -55.68 -26.3 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.39 -38.19 71.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.578 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 70.5 mt -84.82 157.65 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.6 m -83.87 87.65 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.03 141.09 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -98.38 -49.25 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.3 p -168.32 156.21 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.75 129.71 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -120.28 112.32 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.681 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.5 mt -99.63 119.97 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.7 t -81.93 139.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -135.28 153.1 52.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.76 -177.22 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -109.12 -26.2 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -80.4 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -93.5 -16.7 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.4 t0 49.07 45.05 23.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -116.72 152.18 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 39.0 t80 -44.4 121.79 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -69.83 -38.46 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.552 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 134.82 -9.04 4.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -136.47 152.1 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.681 ' CB ' HD23 ' A' ' 71' ' ' LEU . 30.2 p -142.37 158.59 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -106.48 114.41 28.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 57' ' ' ILE . 66.0 t -102.76 127.6 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 42' ' ' THR . 15.4 mt-10 -99.63 156.96 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -133.58 155.38 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.55 -70.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -95.44 166.8 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 92' ' ' ASP . 7.6 p -70.32 -49.01 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.557 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.2 t70 -38.7 -50.9 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -45.25 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.912 HD13 ' HB2' ' A' ' 43' ' ' ALA . 10.3 tp -61.0 -52.5 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HA ' HD12 ' A' ' 98' ' ' LEU . 19.5 ttmt -39.47 -34.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.3 -48.7 10.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.578 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -52.39 -23.67 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.703 ' CD1' HD21 ' A' ' 35' ' ' LEU . 81.8 mt -60.68 -26.83 67.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASP . 35.6 p -66.56 -38.46 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -42.93 -23.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 13.5 p-10 -60.01 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.56 -9.96 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.28 166.27 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 104' ' ' LEU . 9.5 mt -105.85 133.37 50.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -109.89 94.22 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.47 -118.12 12.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -97.36 21.7 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -145.51 -177.21 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -108.28 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.0 mt -114.74 137.59 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -134.51 102.17 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 t -119.93 135.32 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.07 164.39 38.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.2 mt -77.05 117.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.846 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 98' ' ' LEU . 27.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.581 0.705 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.96 135.11 31.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -82.0 -25.73 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.24 161.44 29.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.3 Cg_exo -59.66 166.87 7.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.1 Cg_endo -69.73 153.13 92.79 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.367 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 21.2 m-85 -108.02 86.21 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -103.97 144.94 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -127.05 153.88 45.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 115' ' ' ALA . 30.7 t80 -109.41 116.55 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.46 108.36 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.98 -178.38 19.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.52 45.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 57' ' ' ILE . 14.0 mt -111.74 144.06 29.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.81 164.72 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -71.11 -41.75 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -82.1 49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -107.82 136.07 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' GLN . 23.2 m -135.7 163.92 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.0 tt0 -37.17 -45.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.89 -62.81 5.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLY . 5.0 m-20 -35.55 -49.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 48' ' ' LEU . 23.2 mm -58.68 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 8.3 t70 -41.69 -30.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.48 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.71 -37.64 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -109.9 29.51 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -61.97 -14.58 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -3.16 59.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.3 mt -122.05 143.65 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -71.15 101.5 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 15.2 mt -90.68 133.85 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -94.45 -40.46 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 t -174.36 148.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.82 138.13 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -114.68 104.1 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 84' ' ' CYS . 95.8 mt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.55 144.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -137.54 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.52 179.65 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -111.81 -29.46 7.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.1 -67.46 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -84.54 -28.06 26.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 69.79 47.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -120.52 157.49 29.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -55.16 129.96 40.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -80.42 -41.69 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.44 24.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 4.9 p90 -162.48 143.97 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.565 ' CB ' HD23 ' A' ' 71' ' ' LEU . 29.7 p -154.09 163.54 39.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -105.59 134.11 49.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.2 t -111.15 122.37 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -91.43 114.57 27.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 64.1 m-85 -88.11 172.89 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.58 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -105.78 151.78 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 8.8 p -53.11 -22.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.83 -45.96 76.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 69.0 m -55.88 -44.02 77.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.5 tp -68.76 -43.37 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -50.83 -43.97 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -71.54 -44.8 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.93 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 35' ' ' LEU . 42.4 mt -68.75 -14.72 63.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 p -83.7 -12.87 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 112' ' ' VAL . 29.1 m-85 -75.18 -5.87 46.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.56 95.02 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.17 -11.11 4.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.03 166.32 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.56 132.98 53.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 110' ' ' LEU . 12.3 tp -109.55 98.73 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.25 -118.28 10.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -98.54 17.98 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.313 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -142.16 -176.11 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.7 m -108.08 175.67 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 105' ' ' LEU . 80.8 mt -119.63 143.02 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 99.61 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 100' ' ' TYR . 4.5 t -114.5 107.87 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -131.3 157.74 42.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.43 140.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.596 0.712 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.37 146.17 67.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -102.79 -25.34 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 7.9 tp10 -132.39 140.28 37.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 50.4 Cg_endo -72.64 168.98 23.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.75 -179.16 18.4 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.32 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 31.9 m-85 -124.28 109.35 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -110.76 145.29 38.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.943 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.1 151.45 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.9 t80 -101.01 132.44 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.23 125.78 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.43 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.83 38.1 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 52' ' ' THR . 67.7 mt -93.65 154.66 41.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.712 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.11 155.26 1.02 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -50.94 -38.52 50.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -118.04 76.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.612 HG21 HD13 ' A' ' 48' ' ' LEU . 23.0 m -98.93 98.97 9.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.5 m -89.41 157.57 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.2 tp60 -35.86 -49.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.06 -61.14 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.554 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -34.89 -64.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -47.1 -52.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.38 -45.97 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.84 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.0 mt -51.21 -54.9 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.0 m-85 -105.46 33.8 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 14.5 pttp -57.3 -44.29 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 18.7 m-20 -57.98 -40.24 80.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 93' ' ' SER . 37.4 mt -76.53 174.46 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -97.75 100.76 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 61' ' ' PHE . 72.4 mt -90.81 108.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.86 -50.57 64.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -166.94 155.89 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' CD ' ' A' ' 54' ' ' GLN . 98.3 t -121.48 133.91 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -123.12 108.89 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 84' ' ' CYS . 37.7 mt -93.58 148.86 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.39 142.54 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 73' ' ' ARG . 26.3 mtm105 -135.14 166.14 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.57 162.59 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -95.35 -1.6 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.2 -39.5 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.418 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 62.8 p -106.93 -38.02 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 77' ' ' THR . 0.5 OUTLIER 69.55 38.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -119.49 146.33 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.563 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 32.2 t80 -42.78 123.53 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -74.96 -37.02 62.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.39 8.77 3.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -153.54 141.54 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.55 ' HB3' HD23 ' A' ' 71' ' ' LEU . 30.0 p -147.63 172.96 13.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.16 125.27 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -110.37 123.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -92.98 152.88 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 95.9 m-85 -130.3 157.75 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.47 -66.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -105.96 174.23 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 92' ' ' ASP . 10.9 p -67.25 -43.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 91' ' ' VAL . 39.9 t0 -40.23 -59.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.528 ' HA ' HD22 ' A' ' 64' ' ' LEU . 58.4 m -42.32 -44.19 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.943 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.5 tp -71.94 -58.3 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.5 tttt -43.01 -30.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -85.47 -41.81 15.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.43 -15.31 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 95' ' ' LYS . 73.7 mt -72.91 -35.11 67.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.3 p -66.07 -9.7 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -85.21 1.89 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 3.5 p-10 -81.76 48.36 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.54 -39.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.1 174.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -113.99 129.59 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.5 tp -106.08 97.18 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.61 -113.4 5.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.81 24.05 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -151.54 -175.68 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -113.88 167.78 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.59 140.25 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -132.17 100.42 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.6 111.26 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -122.31 154.88 37.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.9 117.79 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.745 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.62 0.724 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -48.07 132.14 22.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.2 m -86.24 -40.71 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -134.79 153.18 78.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.8 Cg_endo -75.55 168.87 23.55 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.76 -179.03 18.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.376 -0.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -121.02 103.48 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 m -103.29 144.83 30.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -129.24 145.45 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 4.8 t80 -99.05 136.04 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -134.67 114.68 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.44 178.23 16.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.07 43.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.52 143.06 27.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.21 164.75 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.28 -34.57 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -89.41 48.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 m -109.55 121.11 44.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.35 168.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.421 ' N ' HD11 ' A' ' 71' ' ' LEU . 25.0 tt0 -43.16 -59.63 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -42.91 -62.67 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.4 t70 -36.07 -52.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 60' ' ' ILE . 40.0 mm -62.32 -45.29 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HA ' HD13 ' A' ' 66' ' ' ILE . 6.7 t70 -51.78 -30.17 21.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.88 -47.24 15.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 57' ' ' ILE . 81.9 mt -49.66 -47.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' HD1' HD12 ' A' ' 64' ' ' LEU . 98.3 m-85 -105.19 34.62 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -60.26 -32.43 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.51 -41.98 92.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' HD1' ' A' ' 61' ' ' PHE . 45.4 mt -81.08 163.19 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.3 p -82.8 101.57 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 58' ' ' ASP . 57.2 mt -90.21 114.25 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -78.39 -64.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -149.57 136.88 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.4 t -106.85 117.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -103.14 122.28 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD23 ' CB ' ' A' ' 84' ' ' CYS . 51.1 mt -105.41 108.96 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 73' ' ' ARG . 96.3 t -52.56 154.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 72' ' ' VAL . 10.4 ttm-85 -155.7 143.91 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CB ' ' OG1' ' A' ' 77' ' ' THR . 4.6 m-20 -58.22 168.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -90.04 -26.51 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.69 -53.31 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 74' ' ' ASP . 58.6 p -71.38 -19.1 62.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' C ' ' HG2' ' A' ' 73' ' ' ARG . 5.5 p-10 37.44 52.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -125.55 150.63 47.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -51.76 113.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -56.37 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.05 -25.41 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -120.06 170.95 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.516 ' CB ' HD23 ' A' ' 71' ' ' LEU . 15.7 p -159.74 158.93 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 96.1 m-85 -107.76 121.32 44.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.18 123.44 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -93.39 145.26 24.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 88.0 m-85 -119.22 157.22 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.57 -58.65 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -105.36 168.55 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.95 -32.87 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' SER . 2.9 t0 -54.43 -62.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.558 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 22.8 m -37.77 -53.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 43' ' ' ALA . 15.3 tp -60.42 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 98' ' ' LEU . 8.1 mtpm? -45.63 -45.91 14.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.06 -47.55 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.78 -28.1 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' LYS . 87.0 mt -59.38 -25.15 64.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 101' ' ' ASP . 21.3 p -74.76 -40.14 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -45.81 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.9 p-10 -58.38 92.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -14.18 3.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.33 166.11 17.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.01 133.56 53.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -102.78 90.02 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.82 -111.31 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -99.16 12.58 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -136.59 -177.69 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -113.92 167.43 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.2 mt -114.51 140.36 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -134.48 99.16 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.69 136.77 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.63 158.39 44.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.79 111.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.72 HD13 ' CG2' ' A' ' 91' ' ' VAL . 39.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.33 117.29 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 p -45.73 -38.95 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -146.51 155.27 49.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.58 169.7 15.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.68 159.77 88.88 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.75 83.89 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 43' ' ' ALA . 98.3 m -95.53 153.07 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.804 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.47 151.91 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -101.82 128.18 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.35 110.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.61 -174.02 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.19 48.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 57' ' ' ILE . 16.8 mt -123.18 142.7 39.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -49.03 159.16 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -71.01 -6.38 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -96.36 8.71 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.408 HG21 HD13 ' A' ' 48' ' ' LEU . 54.1 m -86.6 121.68 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.11 170.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.619 ' N ' HD11 ' A' ' 71' ' ' LEU . 13.4 tt0 -41.16 -51.19 3.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.5 -44.12 45.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.92 -63.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD13 ' A' ' 48' ' ' LEU . 43.9 mm -44.77 -47.08 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.11 -40.81 90.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -65.9 -39.95 91.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.7 mt -58.36 -58.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.408 ' C ' HD11 ' A' ' 66' ' ' ILE . 27.4 m-85 -94.49 27.69 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 59' ' ' ALA . 18.6 ptmt -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.33 -37.51 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.52 -175.31 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -102.82 107.48 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 61' ' ' PHE . 11.6 mt -103.01 104.81 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -64.1 -49.58 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -163.41 157.53 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.52 131.35 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtm-85 -111.89 105.8 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 54' ' ' GLN . 41.9 mt -90.07 134.56 34.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.434 HG12 ' HG3' ' A' ' 81' ' ' LYS . 95.2 t -99.91 126.89 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.35 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.6 -175.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -107.49 -44.97 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.19 -52.6 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.5 p -88.7 -32.58 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 64.46 36.31 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -100.3 152.06 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.02 114.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.0 mmtt -59.74 -48.28 82.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -121.36 148.93 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 10.4 p -147.25 177.7 8.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.28 126.36 43.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.3 t -105.87 134.62 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -97.75 145.98 25.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -126.0 132.03 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.36 -53.27 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -112.63 150.33 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.72 ' CG2' HD13 ' A' ' 35' ' ' LEU . 14.4 p -58.66 -37.34 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -43.87 -63.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m -43.36 -61.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.5 tp -47.02 -60.97 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.3 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.53 -36.21 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -15.13 62.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 112' ' ' VAL . 67.4 mt -78.69 -24.28 45.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.8 p -59.23 -21.81 60.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.486 ' HB2' HG21 ' A' ' 112' ' ' VAL . 6.0 m-85 -68.99 -2.23 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.3 p-10 -71.01 98.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.32 -3.31 11.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 165.34 15.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.92 134.37 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.41 HD22 HD21 ' A' ' 110' ' ' LEU . 26.6 tp -108.38 93.24 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.74 -114.56 6.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.528 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -100.03 20.95 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -145.19 -177.74 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -110.67 171.99 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.41 HD21 HD22 ' A' ' 105' ' ' LEU . 50.2 mt -117.69 143.5 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 101.96 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 100' ' ' TYR . 3.6 t -116.34 130.96 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.71 163.21 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 85.4 mt -84.68 118.91 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 98' ' ' LEU . 26.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.605 0.716 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.9 123.24 9.55 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 37' ' ' THR . 17.3 m -99.8 38.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -175.13 140.98 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.675 0.75 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.4 Cg_endo -80.04 168.83 18.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.392 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -104.39 106.43 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -108.45 142.99 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.99 154.44 44.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.4 t80 -113.04 136.91 52.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.87 124.83 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.86 -177.2 14.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.32 48.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.73 144.0 31.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -48.48 155.65 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CE2' ' OD1' ' A' ' 51' ' ' ASN . 38.3 p90 -70.57 -4.35 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.443 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 9.1 m120 -120.7 39.31 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.8 m -96.11 131.14 42.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.66 168.52 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -46.18 -47.1 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.82 -64.89 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.38 -57.86 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 46.0 mm -50.37 -61.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -41.36 -43.81 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.73 62.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.3 mt -48.55 -53.82 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.963 ' HB2' HD11 ' A' ' 66' ' ' ILE . 31.2 m-85 -101.04 30.07 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -55.04 -51.15 67.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.66 -40.03 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.58 160.88 29.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -91.2 82.21 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 61' ' ' PHE . 90.3 mt -72.39 112.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -63.66 -46.51 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -173.92 140.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.81 124.77 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -107.89 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' CB ' ' A' ' 84' ' ' CYS . 32.4 mt -103.7 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG12 ' HG3' ' A' ' 81' ' ' LYS . 24.0 t -76.7 144.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -140.78 150.33 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.75 172.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -95.86 -38.45 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.25 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.7 p -60.6 -20.73 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.77 35.16 11.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -101.37 167.48 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.43 137.35 53.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.665 ' HG3' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.0 -68.15 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.78 -24.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.52 149.07 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.504 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.9 p -143.01 156.37 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -111.98 127.97 56.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 66' ' ' ILE . 84.9 t -107.53 119.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -88.47 160.31 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 92.8 m-85 -141.5 176.7 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.66 -49.57 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -110.88 175.44 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 3.9 p -80.2 -42.21 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 3.4 p30 -44.14 -42.53 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.476 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 62.1 m -58.26 -60.89 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.8 tp -53.34 -48.09 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -54.28 -48.91 70.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.82 -26.95 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.62 -30.54 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -66.01 -11.11 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -79.8 -31.07 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.89 -16.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.39 95.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.89 -14.21 4.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.45 164.73 20.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.87 90.11 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.85 -110.89 3.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -99.83 5.78 45.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -130.44 -176.89 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 p -114.66 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.98 140.6 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -128.33 99.66 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.61 118.36 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -139.12 165.73 26.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -66.64 126.13 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.4 m -64.99 170.24 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.5 p -143.35 148.28 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.2 -141.48 9.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -128.93 126.85 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -100.71 139.87 35.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.2 -89.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.08 152.84 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -119.87 93.26 4.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 114' ' ' ILE . 39.6 mt -43.37 150.59 0.49 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -48.09 157.04 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.3 m -94.2 -34.48 12.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -148.01 156.6 43.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.653 0.739 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.7 169.6 15.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.72 156.98 92.42 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.352 -0.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 76.5 m-85 -98.72 84.84 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -77.61 141.92 39.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -135.23 144.72 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -103.01 131.57 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.88 109.39 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.11 -176.76 19.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.26 40.7 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.42 144.19 28.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -48.61 159.99 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -67.61 -44.0 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -85.02 54.61 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.661 ' CG2' HD11 ' A' ' 57' ' ' ILE . 96.9 m -109.49 127.9 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' GLN . 29.8 m -131.77 162.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' VAL . 23.9 mt-30 -35.86 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.7 -61.15 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.64 -53.02 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' CG2' ' A' ' 52' ' ' THR . 13.6 mm -52.62 -49.48 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.94 -48.82 60.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.99 76.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.16 -56.53 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 66' ' ' ILE . 65.7 m-85 -100.94 33.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 22.9 pttm -58.88 -53.43 58.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 2.4 m-20 -45.36 -32.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 93' ' ' SER . 43.0 mt -87.66 -179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -112.52 106.47 14.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 61' ' ' PHE . 53.7 mt -95.52 115.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -73.2 -50.84 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 t -150.33 161.99 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -136.69 141.96 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -126.63 115.81 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 84' ' ' CYS . 50.9 mt -102.57 153.4 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' CE1' ' A' ' 83' ' ' PHE . 91.0 t -104.78 148.61 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -152.39 144.44 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.08 167.94 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.53 -31.44 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -85.36 -70.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.7 p -62.32 -46.86 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t70 74.1 40.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -130.47 149.69 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -39.25 127.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -78.67 -42.09 29.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.63 -12.42 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CE1' HG21 ' A' ' 72' ' ' VAL . 37.1 p90 -126.97 145.2 50.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.474 ' HB2' HD23 ' A' ' 71' ' ' LEU . 28.2 p -150.05 159.03 44.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.87 125.38 53.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.29 138.09 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.59 144.0 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 98.8 m-85 -124.41 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.78 -71.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -101.49 172.18 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 4.9 p -67.81 -35.19 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.09 -56.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.468 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 2.2 m -50.84 -52.94 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 43' ' ' ALA . 21.6 tp -55.31 -55.58 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.47 -48.28 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.87 -34.83 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.77 -19.69 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.55 -13.52 60.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -80.79 5.46 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.507 ' HB2' HG21 ' A' ' 112' ' ' VAL . 31.3 m-85 -97.12 0.91 49.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -74.58 81.81 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.92 -13.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.95 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.77 133.71 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.1 tp -107.54 94.96 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.56 -114.48 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -98.59 22.09 10.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -147.41 178.45 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -110.17 172.68 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.13 146.86 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.33 100.84 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.7 t -114.88 123.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.33 155.49 42.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -71.78 115.36 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.86 73.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.81 164.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.1 153.14 23.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.525 ' NE ' ' N ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -50.26 166.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.856 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -118.58 112.24 19.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -108.76 118.84 37.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -148.09 174.16 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -62.83 158.96 17.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 p -88.0 -3.45 58.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.36 86.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.92 93.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.325 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' SER . 49.4 m -84.51 -48.39 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 126' ' ' SER . 9.4 m -36.54 118.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -154.51 145.44 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -138.78 111.13 7.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 -162.46 9.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 p -131.31 133.86 45.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 p -138.94 125.75 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.88 120.54 3.16 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -45.24 169.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.02 157.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.7 mt -135.23 153.82 78.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.738 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.15 131.24 17.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 t -82.64 -31.43 28.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -145.79 149.26 39.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.4 Cg_endo -67.72 169.65 15.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 177.91 27.16 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 -0.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 50.3 m-85 -119.44 116.29 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.3 m -106.95 140.23 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.6 147.46 50.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.9 t80 -106.42 126.49 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.93 110.14 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.83 -175.06 15.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.1 51.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 57' ' ' ILE . 17.7 mt -116.85 144.09 32.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.89 166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -72.74 -20.48 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -101.72 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.3 m -110.0 135.17 51.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.28 175.69 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.36 -55.18 7.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -47.52 -53.49 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.99 -58.2 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.751 HD11 HD13 ' A' ' 48' ' ' LEU . 18.1 mm -56.93 -56.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -47.09 -36.86 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.8 -46.0 76.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.93 -41.26 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.716 ' HB2' HD11 ' A' ' 66' ' ' ILE . 57.5 m-85 -103.11 31.91 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.43 -8.43 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.01 -31.68 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 14.7 mt -95.57 166.88 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -87.28 119.49 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 61' ' ' PHE . 86.4 mt -113.92 107.09 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -64.37 -46.47 83.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 t -171.34 152.89 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.8 138.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -118.6 103.51 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 84' ' ' CYS . 41.2 mt -88.85 123.87 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 83' ' ' PHE . 67.4 t -80.64 127.04 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -135.56 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.59 -178.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -110.03 -27.22 9.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.53 -65.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.2 p -69.97 -31.1 68.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.93 45.94 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -122.65 169.1 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -56.6 143.79 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -97.43 -49.57 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 140.97 -23.33 2.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' HE1' HG21 ' A' ' 72' ' ' VAL . 39.1 p90 -123.32 140.69 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 71' ' ' LEU . 11.7 p -145.47 163.11 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -119.35 128.65 54.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.21 145.94 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -107.53 134.07 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.09 153.72 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.02 -66.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 13.2 p -80.41 -35.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.41 -48.95 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 m -52.58 -59.96 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.8 tp -51.43 -57.81 7.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' A' ' 98' ' ' LEU . 17.3 tttp -47.22 -37.56 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.02 -37.93 57.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -68.4 -16.52 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 95' ' ' LYS . 85.2 mt -72.24 -27.76 62.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -60.32 -18.12 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.32 -5.55 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -69.51 77.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.32 -9.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.8 159.71 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 mt -104.34 140.43 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.648 HD22 HD21 ' A' ' 110' ' ' LEU . 41.7 tp -111.88 89.95 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.24 -114.88 7.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.28 16.91 20.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -141.01 179.53 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -110.54 168.0 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.648 HD21 HD22 ' A' ' 105' ' ' LEU . 73.3 mt -116.87 145.46 43.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -134.06 99.26 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.97 132.89 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.7 156.71 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.51 127.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.71 92.72 3.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -65.06 145.38 56.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -91.62 -98.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -144.76 113.02 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -47.97 121.97 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -102.1 133.89 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -37.8 144.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.04 160.29 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -61.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.98 158.11 30.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.58 146.48 26.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 82.7 p -120.39 160.86 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.0 m -89.02 93.03 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.0 p -128.95 130.49 46.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -68.41 138.19 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.97 -139.23 9.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m -82.98 98.34 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -38.57 -33.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.57 77.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -49.08 166.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.303 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' HD13 ' A' ' 114' ' ' ILE . 14.3 pt-20 -82.86 132.79 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD11 ' HE2' ' A' ' 95' ' ' LYS . 91.6 mt -120.79 154.81 57.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.571 0.7 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -70.06 126.19 12.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.3 p -69.84 -40.96 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -141.5 161.1 54.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.68 169.61 15.61 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.76 175.02 38.2 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.385 -0.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -122.26 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.2 m -95.33 129.17 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -120.61 145.58 47.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -104.06 130.87 51.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.83 123.01 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.23 -174.58 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.18 41.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD13 HG21 ' A' ' 52' ' ' THR . 77.9 mt -102.41 150.95 38.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.61 146.94 7.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.88 -45.38 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.39 77.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.457 HG21 HD13 ' A' ' 48' ' ' LEU . 59.2 m -101.12 125.8 47.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.87 154.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -40.92 -42.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.01 38.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -49.16 -62.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 60' ' ' ILE . 48.0 mm -50.29 -51.31 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -49.11 -39.31 27.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.56 -42.08 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 57' ' ' ILE . 46.4 mt -58.45 -57.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -96.74 27.94 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -32.43 66.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -35.96 82.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.66 179.41 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -99.18 88.48 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 44.4 mt -77.7 126.58 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -90.83 -49.53 6.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -162.26 149.56 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.62 104.45 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -85.88 116.26 24.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 84' ' ' CYS . 69.9 mt -101.68 118.76 37.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' HG3' ' A' ' 81' ' ' LYS . 41.1 t -81.9 126.19 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -133.3 142.66 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -53.39 177.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -110.39 -23.31 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.87 -48.44 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -91.29 -33.61 15.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.61 45.2 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -120.07 148.9 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CZ ' ' C ' ' A' ' 82' ' ' GLY . 41.4 t80 -48.96 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.9 mmtt -46.63 -46.86 20.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 145.94 -29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -116.12 172.6 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.818 ' HB3' HD23 ' A' ' 71' ' ' LEU . 28.2 p -161.61 152.49 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -102.58 122.86 45.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.1 t -104.98 122.61 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -92.43 138.8 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.25 163.77 15.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -82.97 -65.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.13 175.27 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.73 -33.15 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.38 -46.69 73.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -55.96 -56.23 23.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.9 tp -51.26 -61.2 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.619 ' HA ' HD12 ' A' ' 98' ' ' LEU . 37.5 tttm -46.98 -52.81 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -34.22 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.23 -21.09 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 95' ' ' LYS . 49.8 mt -72.51 -12.82 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -86.5 -26.32 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.78 -17.25 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.57 101.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.72 -17.89 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.27 172.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.7 mt -111.65 131.25 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 HD21 ' A' ' 110' ' ' LEU . 28.2 tp -100.78 90.67 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.28 -113.68 5.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.97 12.17 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -136.03 -179.52 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -107.58 163.43 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.431 HD21 HD22 ' A' ' 105' ' ' LEU . 49.8 mt -108.79 140.89 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -134.62 99.59 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 t -113.05 122.46 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -135.96 150.91 49.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 34' ' ' GLU . 39.9 mt -67.91 129.32 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.72 72.28 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -96.03 119.13 33.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -162.88 134.83 3.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -68.71 132.01 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -89.48 -49.68 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -162.61 146.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -73.36 132.9 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 119.19 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.8 t -119.0 116.64 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -128.98 146.66 17.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.23 140.35 22.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.6 t -148.54 123.17 9.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.7 t -142.96 124.0 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -92.01 140.85 29.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 p -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.15 105.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -121.74 -55.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -108.53 125.24 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.91 107.49 2.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 144.45 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -129.07 125.97 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 mt -100.45 155.61 36.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -45.14 133.35 11.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.396 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.1 p -78.69 -29.35 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -149.28 152.54 36.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 39.3 Cg_endo -68.08 169.55 16.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.83 175.59 36.19 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.36 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.0 m-85 -123.11 111.09 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 m -109.71 147.02 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -125.7 148.4 49.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.6 t80 -99.48 129.53 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -132.13 109.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.11 -179.66 17.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.91 51.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.52 144.09 29.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.98 164.71 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -70.02 -36.12 74.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.09 46.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -106.76 136.93 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.56 171.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -41.06 -55.18 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -50.41 -61.54 5.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 7.2 t0 -35.32 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -50.65 -39.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 24.4 t70 -56.82 -38.68 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.27 63.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.53 -41.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 66' ' ' ILE . 71.2 m-85 -113.84 32.93 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.37 -18.55 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.64 -38.29 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.3 mt -86.82 -177.57 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -96.96 113.91 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 61' ' ' PHE . 94.3 mt -103.68 114.44 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -81.14 -58.13 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 t -157.12 148.32 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.9 t -120.69 104.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -88.9 101.06 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.589 HD23 ' CB ' ' A' ' 84' ' ' CYS . 26.7 mt -83.73 117.57 23.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.81 149.25 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 173.47 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' CG ' ' HD3' ' A' ' 81' ' ' LYS . 3.5 m-20 -81.22 176.73 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -98.18 -28.37 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -99.83 -55.43 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.1 p -77.58 -29.61 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.99 48.51 20.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' PHE . 16.5 mtpt -123.88 137.23 54.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LYS . 22.6 t80 -34.82 111.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD3' ' CG ' ' A' ' 74' ' ' ASP . 2.9 mmmp? -60.01 -43.9 94.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.423 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 149.32 -27.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -116.68 153.95 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.589 ' CB ' HD23 ' A' ' 71' ' ' LEU . 22.0 p -149.19 156.62 42.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -103.99 122.21 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.59 126.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.72 154.88 17.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.41 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 80.0 m-85 -129.97 166.39 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -70.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -99.49 -177.25 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 7.5 p -81.89 -30.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.42 -46.31 73.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.466 ' HA ' HD22 ' A' ' 64' ' ' LEU . 2.5 m -55.79 -50.12 71.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.72 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 21.3 tp -60.46 -58.4 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.72 ' HA ' HD12 ' A' ' 98' ' ' LEU . 2.6 ttpm? -44.21 -43.0 6.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -70.43 -35.86 73.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.61 -20.27 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 95' ' ' LYS . 65.4 mt -70.01 -14.73 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.9 p -78.47 -27.89 46.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -57.87 -13.54 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.51 87.23 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 -7.91 2.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.76 168.78 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.13 132.57 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.476 HD22 HD21 ' A' ' 110' ' ' LEU . 25.4 tp -109.05 96.45 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.54 -116.34 8.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.0 19.41 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -144.54 -175.11 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -112.56 -177.52 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.476 HD21 HD22 ' A' ' 105' ' ' LEU . 41.4 mt -130.27 147.41 51.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -132.41 102.85 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -115.1 120.57 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -139.06 158.55 43.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.84 110.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.79 99.29 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -145.97 94.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.444 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -54.33 162.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -131.24 104.29 6.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -61.01 127.24 30.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -54.65 159.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -106.91 148.7 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.1 m -119.91 167.43 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -130.46 95.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.8 158.89 49.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.0 t -82.83 152.4 25.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -122.11 142.99 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -134.34 158.52 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 t -123.36 129.65 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 130.45 6.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.5 m -72.95 -52.9 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -78.26 104.73 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.35 -136.38 3.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -41.52 156.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.55 118.68 34.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 98' ' ' LEU . 94.8 mt -99.62 156.09 35.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.614 0.721 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -45.63 131.13 12.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -73.35 -25.06 60.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.64 152.75 29.31 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.74 169.65 15.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.79 177.65 28.23 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -122.71 106.76 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.1 m -118.71 142.64 47.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.791 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -123.04 143.42 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.61 134.83 34.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 t -132.45 125.33 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.55 -179.55 15.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.46 39.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.8 mt -94.66 156.64 38.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -48.09 160.97 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -58.5 -50.46 73.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -108.6 76.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -100.89 126.39 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' GLN . 25.0 m -115.95 158.85 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' VAL . 32.2 tt0 -36.95 -50.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -43.2 -57.79 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -45.42 -68.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.339 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.594 ' HA ' HD12 ' A' ' 60' ' ' ILE . 33.7 mm -46.77 -54.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -27.37 3.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.64 -39.41 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 57' ' ' ILE . 66.9 mt -55.68 -43.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.719 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.3 m-85 -107.93 29.05 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 10.2 ptmm? -51.66 -46.72 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 33.8 t70 -47.99 -49.07 31.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.13 172.16 12.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -100.04 88.78 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 61' ' ' PHE . 28.5 mt -75.28 135.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -98.48 -47.43 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 t -154.74 153.14 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.16 115.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -98.16 112.74 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 84' ' ' CYS . 40.6 mt -99.29 115.1 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -73.0 144.75 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -147.98 161.24 41.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.14 -175.28 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -116.6 -39.59 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -43.94 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.5 p -95.67 -37.19 10.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 65.71 46.7 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -107.84 171.74 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 81' ' ' LYS . 49.0 t80 -77.11 91.47 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' PHE . 10.8 mmmt -35.97 -44.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.08 -13.47 6.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -126.54 145.86 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.414 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.8 p -147.37 155.7 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -104.3 125.68 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' A' ' 88' ' ' PHE . 87.0 t -104.51 122.47 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -91.32 159.53 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CE1' HG12 ' A' ' 86' ' ' VAL . 83.1 m-85 -142.31 154.51 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -71.72 -47.54 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -118.4 176.5 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -79.59 -37.55 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -41.22 -56.48 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.469 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 20.0 m -48.15 -54.61 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.9 tp -56.3 -52.93 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 98' ' ' LEU . 30.4 tttp -45.23 -37.47 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.34 -42.65 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.17 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 35' ' ' LEU . 79.9 mt -70.45 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 p -91.13 -10.95 40.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.42 1.5 37.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -77.46 46.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.72 -36.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.51 169.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 104' ' ' LEU . 10.3 mt -117.09 128.27 54.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.2 tp -105.65 94.01 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.98 -114.57 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -99.84 13.09 34.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.402 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -136.93 178.14 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 p -106.89 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.99 135.25 55.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -126.94 102.33 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -118.05 122.6 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.33 169.89 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.2 mt -87.57 120.48 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.84 96.13 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.36 83.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.71 169.03 14.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -141.35 106.17 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.31 135.06 35.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.64 132.3 45.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -103.99 122.05 44.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -82.0 140.68 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.0 m -126.45 136.94 53.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -128.47 93.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.3 151.97 49.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 t -157.82 111.11 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.4 p -150.71 161.1 43.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 p -89.06 109.48 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 t -101.7 128.34 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.92 153.39 21.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -126.64 107.9 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.5 p -101.14 166.07 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.67 -75.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -64.28 143.78 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -96.36 93.88 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -78.59 153.17 78.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.78 156.59 64.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m -106.4 -38.31 6.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.09 153.91 75.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.76 169.57 15.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.85 168.5 67.59 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.21 102.04 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -109.8 148.18 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.24 145.19 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -97.58 141.61 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.7 t -139.52 123.55 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 -176.09 14.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.11 48.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.88 143.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.81 162.58 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.61 -36.62 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -85.92 47.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -105.2 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -114.59 154.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -37.67 -44.06 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.62 -59.15 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.61 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.7 mm -45.47 -49.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.73 -42.48 57.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.33 76.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 57' ' ' ILE . 62.7 mt -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -91.92 24.04 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -34.66 16.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -66.69 -38.53 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 96' ' ' GLU . 83.5 mt -82.91 -179.29 7.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 m -97.7 125.37 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.26 111.49 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -83.57 -37.52 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -171.18 148.49 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.34 114.75 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -95.38 111.08 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 84' ' ' CYS . 36.9 mt -93.04 116.84 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 83' ' ' PHE . 60.5 t -64.4 122.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -111.94 174.36 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.71 -179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -96.79 -20.66 18.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.18 -70.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -63.57 -24.52 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.53 39.84 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' PHE . 15.0 mmmt -121.62 157.96 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' LYS . 26.8 t80 -35.06 152.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -116.2 -39.37 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.62 -38.31 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' A' ' 72' ' ' VAL . 4.8 p90 -111.53 154.6 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' HB3' HD23 ' A' ' 71' ' ' LEU . 1.7 p -148.84 163.15 38.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -114.07 125.73 54.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.9 t -103.27 133.16 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.23 135.17 41.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 97.9 m-85 -116.38 154.29 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -66.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -100.99 173.44 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 92' ' ' ASP . 9.6 p -68.3 -48.79 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 91' ' ' VAL . 6.7 m-20 -36.44 -60.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.55 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 37.5 m -40.91 -53.25 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.627 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.6 tp -60.78 -69.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LEU . 26.4 ttpt -35.68 -45.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.75 -53.72 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.44 -38.47 43.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.17 -18.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 96' ' ' GLU . 46.6 p -76.45 -36.86 57.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB2' HG21 ' A' ' 112' ' ' VAL . 17.7 m-85 -47.82 -20.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.76 84.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' TYR . . . 144.97 -13.01 1.91 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.43 169.12 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -114.84 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.64 98.06 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.5 -116.76 9.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.09 18.48 17.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.344 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -142.02 174.42 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.6 m -101.03 179.04 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 mt -124.86 143.8 50.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -134.66 99.35 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 100' ' ' TYR . 5.2 t -110.88 129.84 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.28 154.7 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' GLU . 15.9 mt -70.91 112.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.41 82.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 3.5 tp10 -60.19 141.21 56.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.54 135.82 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -108.73 127.47 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -90.04 -60.14 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -94.72 145.52 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.62 160.81 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -173.21 140.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 m -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -114.05 162.86 12.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.12 177.47 7.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.9 p -124.52 148.16 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.4 t -125.09 138.79 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -115.18 123.66 49.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -47.34 110.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.03 102.08 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -97.1 166.78 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.9 m -124.62 119.92 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.51 -149.81 5.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' GLU . 25.1 mtpp -90.41 124.9 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -34.62 130.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt -81.59 154.04 70.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -46.31 134.97 15.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.1 p -87.58 -34.55 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -149.96 152.94 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.673 0.749 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.5 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 43.6 Cg_endo -70.28 169.29 19.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 164.59 78.74 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.372 -0.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 49.6 m-85 -106.77 122.08 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -120.91 138.94 53.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.994 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.23 144.38 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 1.2 t80 -96.37 129.83 43.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.3 103.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.14 -174.95 18.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.84 47.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 57' ' ' ILE . 20.1 mt -118.24 144.04 34.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -48.97 160.66 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.74 -41.5 92.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.9 44.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 m -99.41 134.05 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.84 161.35 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -41.87 -43.33 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -52.64 -65.08 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -38.15 -51.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 48' ' ' LEU . 46.5 mm -56.24 -56.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -41.73 -41.76 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.81 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -54.72 -38.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 66' ' ' ILE . 69.6 m-85 -111.46 30.65 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.42 -12.33 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.18 -25.45 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 61' ' ' PHE . 33.5 mt -99.4 155.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -76.89 123.98 27.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 61' ' ' PHE . 62.1 mt -119.08 108.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -79.62 -44.66 20.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -162.08 155.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.45 125.3 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -102.26 104.27 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.691 HD23 ' HB3' ' A' ' 84' ' ' CYS . 31.4 mt -84.32 104.83 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 83' ' ' PHE . 47.1 t -54.14 122.83 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -138.99 166.05 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.68 -177.34 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -95.22 -48.32 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.32 -64.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 71.7 p -65.95 -34.32 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' THR . 3.4 p30 49.01 39.35 14.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' PHE . 78.7 mttt -111.83 130.68 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LYS . 39.3 t80 -35.93 107.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -55.07 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.9 -28.2 0.13 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 72' ' ' VAL . 10.1 p90 -114.55 146.01 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.691 ' HB3' HD23 ' A' ' 71' ' ' LEU . 20.4 p -139.24 161.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -115.67 128.35 55.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.2 t -102.78 137.98 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.55 116.04 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 59.4 m-85 -97.13 137.84 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.21 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -97.55 177.16 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 7.2 p -81.03 -26.06 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.25 -45.79 92.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.582 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 4.8 m -52.36 -58.83 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 43' ' ' ALA . 14.7 tp -56.51 -52.18 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -48.5 -39.86 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 tp10 -70.85 -45.22 64.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.04 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.44 -17.77 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 96' ' ' GLU . 15.0 p -79.5 -23.61 42.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.36 -10.51 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 18.6 p-10 -70.0 93.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -9.87 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.6 158.36 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.86 148.83 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.9 tp -106.83 90.15 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.13 -110.42 3.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.09 16.09 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -140.58 -175.16 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -115.21 162.11 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 mt -112.77 144.42 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -130.94 99.23 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.03 131.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -157.83 148.77 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.89 123.08 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.88 75.21 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -39.45 137.1 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -178.59 72.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.9 170.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -137.27 167.13 22.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -92.93 87.79 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -123.47 135.1 53.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -105.41 169.16 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.9 t -134.78 101.75 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.02 146.2 15.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -48.97 -179.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.0 m -73.36 -50.1 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -170.0 150.01 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 p -100.04 83.54 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.2 t -141.87 120.19 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.13 -53.82 2.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -109.47 162.37 14.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -95.49 89.96 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.41 -111.68 4.33 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -47.23 174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.83 116.24 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -95.13 155.16 39.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.43 131.6 22.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.75 2.3 . . . . 0.0 112.343 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -97.08 -12.1 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.73 144.55 18.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.2 Cg_endo -72.58 169.07 22.74 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.4 Cg_endo -69.77 172.88 46.99 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.328 -0.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -117.77 94.04 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.3 m -91.32 142.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.63 149.75 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -103.76 127.56 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.95 118.56 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.16 -176.32 14.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.72 52.13 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HD11 ' A' ' 57' ' ' ILE . 19.1 mt -112.81 143.44 29.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 54.5 Cg_exo -49.12 162.84 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.83 -42.51 90.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -82.69 44.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -106.19 122.95 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.69 176.77 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -41.19 -47.94 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.18 -61.27 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.7 t70 -35.14 -60.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.488 HD11 HD13 ' A' ' 48' ' ' LEU . 11.8 mm -54.21 -42.01 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' GLY . 32.2 t70 -56.25 -33.93 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.35 -36.55 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.55 -50.43 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.786 ' HB2' HD11 ' A' ' 66' ' ' ILE . 38.3 m-85 -97.65 28.38 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -60.81 -11.3 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.13 -12.44 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 71.9 mt -111.66 163.51 14.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 p -85.26 92.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 61' ' ' PHE . 39.8 mt -86.79 112.96 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -76.73 -43.67 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -172.66 155.7 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.04 150.92 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -122.92 109.76 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.6 HD23 ' CB ' ' A' ' 84' ' ' CYS . 29.2 mt -103.86 129.34 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 73' ' ' ARG . 65.2 t -101.28 159.08 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.531 ' N ' HG12 ' A' ' 72' ' ' VAL . 41.4 mtt85 -148.46 146.31 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.422 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 4.0 t70 -62.48 -175.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.85 -70.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -34.08 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.9 p -104.72 -22.73 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 49.82 26.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -100.49 152.35 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -54.33 117.61 3.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 74' ' ' ASP . 7.3 mmmm -59.66 -67.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.44 33.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -162.63 155.98 20.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.6 ' CB ' HD23 ' A' ' 71' ' ' LEU . 20.2 p -161.14 147.9 14.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -98.11 121.81 40.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.4 122.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -93.68 135.34 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -108.88 177.72 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.44 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -104.18 153.37 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.68 -31.99 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -61.17 -46.61 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 m -50.9 -56.21 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 43' ' ' ALA . 11.4 tp -59.0 -48.35 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -48.17 -41.27 26.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -72.01 -37.96 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -66.94 -18.48 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.62 -25.14 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 p -65.76 -14.38 61.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -79.55 2.07 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 14.7 p-10 -72.43 86.77 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.49 4.98 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 171.88 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.7 mt -119.18 128.92 54.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 tp -105.47 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.92 -115.07 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -99.29 18.53 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 49' ' ' PRO . 30.8 mtt180 -141.07 -176.35 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.6 p -110.67 177.75 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -124.24 138.95 54.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -125.06 100.76 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.9 127.63 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -152.23 158.15 42.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 116' ' ' GLU . 46.5 mt -71.92 124.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.12 82.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 114' ' ' ILE . 4.9 tp10 -43.64 135.16 3.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -147.45 139.15 7.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.401 ' C ' ' HD2' ' A' ' 118' ' ' ARG . 4.5 tmm_? -129.2 137.77 51.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.74 121.88 10.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.446 ' HG2' ' N ' ' A' ' 121' ' ' ASP . 26.6 tt0 -60.89 149.93 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 120' ' ' GLN . 9.4 t70 -49.36 164.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -95.26 110.58 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t -83.63 96.67 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -106.33 94.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.62 168.5 24.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.288 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -101.87 85.62 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.1 t -74.56 -55.47 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLY . 3.7 m -37.95 106.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 t -95.77 101.17 12.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.28 -162.1 33.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -145.35 175.32 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 151.33 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 -105.22 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' N ' ' HE3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -44.16 136.58 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.28 124.21 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' CD1' ' A' ' 114' ' ' ILE . 19.9 mt -84.26 152.0 60.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.8 140.92 52.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 p -83.25 -37.04 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.32 155.18 75.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 37.1 Cg_endo -66.57 169.86 13.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.77 173.95 42.56 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.36 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.08 94.95 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -99.49 146.04 26.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -136.69 153.48 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -105.53 142.26 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -136.34 119.93 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.06 -175.28 17.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.89 54.61 8.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.8 mt -101.36 152.27 37.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.12 141.84 6.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -45.34 -46.36 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -109.81 79.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.2 m -105.32 144.09 32.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.0 m -136.55 154.62 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tt0 -36.44 -39.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.5 -45.91 93.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' VAL . 15.9 m-20 -52.87 -55.63 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.8 mm -54.76 -45.36 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -56.59 -34.44 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.08 59.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.42 -56.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 66' ' ' ILE . 61.3 m-85 -101.77 29.57 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -54.28 -24.47 19.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -27.73 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 93' ' ' SER . 51.3 mt -93.53 168.73 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 110.71 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 61' ' ' PHE . 65.5 mt -105.83 118.61 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -76.31 -44.99 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 t -174.67 150.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.89 138.09 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -105.17 112.87 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -102.35 133.27 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 73' ' ' ARG . 56.4 t -109.03 153.45 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 72' ' ' VAL . 49.5 mtp180 -141.46 174.38 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.08 176.79 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -105.4 -21.22 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -111.09 -68.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -24.99 67.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.2 t0 52.56 43.14 31.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -111.02 168.87 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -70.13 98.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -41.84 -59.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.14 25.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -155.98 147.73 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -158.14 160.09 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -111.77 134.96 52.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.36 135.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.73 143.38 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 47.8 m-85 -121.24 135.7 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -65.23 -62.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -100.1 173.0 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 92' ' ' ASP . 14.4 p -72.87 -49.08 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 91' ' ' VAL . 1.3 p30 -44.79 -40.65 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.581 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.1 m -53.82 -48.54 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.625 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.3 tp -68.33 -47.98 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.567 ' CD ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -49.68 -43.85 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.72 -37.94 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 114' ' ' ILE . 53.0 mt -74.12 -17.27 60.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.3 p -76.16 -7.94 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.419 ' HB2' HG21 ' A' ' 112' ' ' VAL . 50.5 m-85 -83.52 -1.61 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -76.61 66.28 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.24 32.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.0 128.51 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.65 128.54 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -100.42 90.32 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.47 -115.87 8.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -97.68 26.56 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -144.64 176.25 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -115.87 161.4 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -127.41 138.84 53.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -132.11 99.59 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 100' ' ' TYR . 19.3 t -110.04 135.09 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -154.52 152.18 29.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.7 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.6 mt -71.39 113.7 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.6 107.54 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.2 126.87 47.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -133.86 73.14 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -87.92 106.12 17.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.3 153.69 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -138.1 130.29 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.28 108.55 19.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -67.37 -55.05 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.0 p -53.08 166.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.78 81.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.28 173.29 13.3 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.744 2.296 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.0 m -107.6 119.31 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.5 m -76.35 174.45 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -51.21 177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -114.75 -60.87 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.29 -43.03 1.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -91.84 158.89 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.5 m -164.66 164.43 21.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.82 -87.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -40.41 161.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -146.98 126.69 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.58 157.45 2.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.2 149.09 63.6 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.7 p -96.05 -33.73 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -149.78 152.21 34.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.79 169.62 15.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.0 Cg_endo -69.82 151.15 91.32 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.358 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 68.5 m-85 -90.71 107.21 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 m -103.74 141.26 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.14 148.52 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -107.84 128.03 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.45 116.12 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.97 -179.7 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.5 40.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 52' ' ' THR . 65.5 mt -95.59 152.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.73 165.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.09 -43.35 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.79 79.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.681 HG21 HD13 ' A' ' 48' ' ' LEU . 53.0 m -101.89 120.15 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.9 m -108.45 153.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' VAL . 17.1 tt0 -36.74 -49.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -44.71 -62.69 2.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.6 t70 -35.04 -54.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -57.23 -50.12 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.49 -37.12 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.06 53.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.99 -38.35 76.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -117.05 32.24 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -59.77 -48.87 79.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.43 -39.52 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 93' ' ' SER . 19.1 mt -85.15 177.96 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -109.51 108.68 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.33 117.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -73.72 -41.55 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -163.68 166.94 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.52 125.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -111.32 117.3 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 84' ' ' CYS . 69.1 mt -99.93 131.14 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -85.85 111.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -97.76 172.21 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.75 -178.36 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -107.25 -39.89 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.6 p -72.03 -27.69 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 63.54 34.36 12.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -109.2 160.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -46.73 124.09 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -68.61 -71.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.12 -23.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -130.55 147.37 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.468 ' CB ' HD23 ' A' ' 71' ' ' LEU . 27.5 p -143.68 166.65 24.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -113.99 127.74 56.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.65 137.01 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.17 128.06 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 61.3 m-85 -106.54 154.38 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -81.88 -47.88 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -118.99 157.68 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.531 HG22 ' HG3' ' A' ' 95' ' ' LYS . 10.7 p -60.9 -33.26 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' A' ' 93' ' ' SER . 0.6 OUTLIER -51.01 -54.04 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.664 ' HA ' HD22 ' A' ' 64' ' ' LEU . 19.0 m -48.34 -58.06 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.6 tp -57.22 -56.49 21.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' A' ' 91' ' ' VAL . 7.0 mtpt -45.99 -37.34 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.79 -39.56 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.48 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.24 -15.33 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -81.19 -8.96 59.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 112' ' ' VAL . 20.3 m-85 -76.65 -6.06 50.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -75.5 105.61 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.19 -17.16 7.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.29 155.7 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.4 137.05 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.744 HD22 HD21 ' A' ' 110' ' ' LEU . 18.7 tp -112.63 94.92 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.68 -116.14 7.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.96 14.39 30.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -142.67 175.85 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -100.26 178.82 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.744 HD21 HD22 ' A' ' 105' ' ' LEU . 52.1 mt -124.06 146.08 48.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 102.64 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.6 t -114.88 113.5 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.25 157.29 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.87 127.61 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.12 100.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -88.14 132.63 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.11 110.59 2.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 100.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -82.45 127.66 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -152.79 150.47 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -109.27 154.18 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.91 156.85 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.6 p -66.75 146.25 54.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.57 80.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -49.65 149.3 10.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.3 t -44.16 137.97 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.0 m -51.43 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t -161.47 129.74 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -98.8 163.82 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.3 74.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 p -139.79 115.14 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -172.57 144.27 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.56 -55.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' CE ' HD13 ' A' ' 98' ' ' LEU . 16.0 pttm -48.83 171.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -110.32 78.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.03 156.65 6.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.19 159.04 54.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.7 m -112.26 -38.23 4.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -127.52 139.59 35.65 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.9 Cg_endo -77.14 168.86 22.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.75 179.8 21.27 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.346 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 7.7 m-85 -119.88 127.04 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.8 m -118.58 125.15 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -109.37 142.1 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.6 133.82 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -133.25 130.61 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.93 -178.78 15.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 40.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HG21 ' A' ' 52' ' ' THR . 15.2 mt -97.03 156.34 36.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.39 164.24 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -58.05 -46.89 84.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 51' ' ' ASN . 15.2 p-10 -106.31 74.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.488 HG21 HD13 ' A' ' 48' ' ' LEU . 32.1 m -96.51 122.53 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.16 167.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -45.98 -54.85 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.95 8.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -37.85 -50.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.0 -53.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -44.7 -32.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.33 -46.44 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.83 -54.1 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.53 31.83 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.7 -35.93 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.71 -41.08 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.6 mt -76.86 178.35 6.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -97.64 97.26 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 48.7 mt -91.05 122.33 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -91.83 -60.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 76.2 p -147.06 131.65 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.56 116.32 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -103.26 108.43 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 84' ' ' CYS . 25.5 mt -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG21 ' CE2' ' A' ' 83' ' ' PHE . 42.9 t -65.4 138.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -144.85 173.7 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -86.87 -177.98 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -107.71 -24.08 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.56 -68.26 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.3 p -70.16 -42.25 72.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 72.78 40.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -113.46 169.58 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.483 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 34.6 t80 -61.73 132.67 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -85.12 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.14 -32.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 72' ' ' VAL . 33.8 p90 -117.39 164.0 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.436 ' CB ' HD23 ' A' ' 71' ' ' LEU . 18.9 p -158.79 149.3 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -98.3 121.37 40.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.78 119.66 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -87.25 133.82 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 83.5 m-85 -111.89 173.36 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.09 -68.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -91.97 153.37 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.51 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -45.55 77.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.537 ' HA ' HD22 ' A' ' 64' ' ' LEU . 3.6 m -52.78 -59.78 4.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.608 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 8.8 tp -53.68 -56.92 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -47.67 -32.2 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -78.6 -48.76 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.34 -36.17 52.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.433 HD13 ' CE ' ' A' ' 33' ' ' LYS . 92.5 mt -52.51 -22.78 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.1 p -77.07 -35.39 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -52.38 -16.78 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.5 90.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.47 -18.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.0 175.07 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -111.45 132.38 54.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 tp -104.6 93.94 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.0 8.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.49 22.05 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -148.5 -178.93 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -103.93 176.73 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.7 mt -118.5 142.79 47.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -134.51 101.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.87 130.95 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -155.64 151.27 27.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.67 139.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -96.65 142.44 28.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -128.19 166.28 18.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -155.2 -88.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.3 41.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -83.64 51.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -155.03 175.39 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -116.73 170.57 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -136.14 131.93 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.2 t -68.71 158.92 33.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.78 146.54 48.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.42 141.99 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.0 t -59.03 -42.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 128' ' ' GLY . 40.9 m -86.2 147.46 26.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -82.23 139.16 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 p -173.12 120.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.33 54.26 0.58 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.9 t -151.85 128.65 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.8 p -64.52 142.7 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.23 -174.67 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -87.91 114.28 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -43.4 128.37 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt -89.59 154.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.728 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 66.0 Cg_exo -46.85 132.54 17.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -67.86 -45.57 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -151.2 156.98 35.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.726 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.65 169.63 15.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.0 Cg_endo -69.72 145.74 80.17 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.361 -0.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 30.5 m-85 -92.88 106.67 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -121.59 138.1 54.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 3.3 t80 -99.37 139.32 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.23 127.07 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.77 -174.43 14.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.36 45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 mt -103.56 150.38 38.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.16 162.81 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.4 -39.59 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -110.39 73.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -97.05 129.21 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.1 m -117.83 150.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.3 tt0 -37.26 -49.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.62 -61.71 4.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.6 t70 -37.49 -58.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.57 -49.93 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -50.29 -31.3 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.46 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.77 -57.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -94.74 26.26 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.43 -34.85 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.17 -40.61 94.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 93' ' ' SER . 29.1 mt -84.25 167.37 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 m -85.5 108.51 17.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.2 125.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -89.29 -50.4 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -164.6 147.37 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -113.32 108.07 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.9 mt -96.84 148.46 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 ' HG3' ' A' ' 81' ' ' LYS . 58.4 t -104.58 142.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -134.62 153.26 52.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.72 178.65 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.82 -39.89 10.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.13 -70.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 p -66.2 -16.15 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 42.75 46.82 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -120.95 169.4 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 31.1 t80 -50.93 143.83 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' HG3' HG12 ' A' ' 72' ' ' VAL . 26.6 mmtt -94.3 -55.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 151.12 -15.54 0.88 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -132.77 145.67 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 p -144.28 166.01 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.45 ' N ' ' CD1' ' A' ' 85' ' ' TYR . 2.7 m-85 -120.84 127.41 51.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -101.98 139.06 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -102.01 135.97 42.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -120.64 157.99 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.97 -68.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -92.2 162.61 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 4.4 p -71.98 -26.48 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -56.36 -51.64 67.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.45 ' HA ' HD22 ' A' ' 64' ' ' LEU . 30.3 m -48.73 -59.07 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.83 HD13 ' HB2' ' A' ' 43' ' ' ALA . 16.2 tp -57.51 -58.1 9.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -40.86 -39.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -77.06 -48.81 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.94 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.85 -28.21 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.0 p -62.02 -16.21 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.22 -0.16 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -73.74 81.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.04 -4.11 2.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.83 168.15 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -114.06 133.54 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 110' ' ' LEU . 55.6 tp -109.9 95.15 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.99 -118.07 13.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.14 25.18 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -148.22 -179.34 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 t -111.28 170.1 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 105' ' ' LEU . 28.7 mt -116.96 139.56 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -128.77 99.67 5.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.75 127.78 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -152.07 162.95 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -76.34 128.79 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.81 118.55 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.78 98.36 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -152.03 66.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -133.65 108.36 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -76.8 124.39 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -147.87 121.34 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.55 154.5 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -90.29 73.18 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.8 t -46.84 126.45 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.5 95.23 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -46.94 120.38 4.11 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 m 60.0 50.03 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -68.24 127.59 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -82.5 -59.41 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.3 m -55.83 125.03 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.75 149.77 16.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 p -98.09 137.06 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -79.32 -44.46 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.31 172.35 19.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -38.55 145.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.3 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.37 150.21 27.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.26 155.07 75.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.86 153.52 68.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 p -100.97 -14.95 17.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -165.05 156.32 12.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.9 Cg_endo -67.73 169.62 15.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.71 162.16 84.56 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.327 -0.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.94 99.22 8.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -112.03 139.01 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -124.31 140.8 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.38 129.23 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 112' ' ' VAL . 62.0 t -125.73 110.98 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.89 -172.48 17.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 61.59 49.98 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 mt -111.39 155.65 42.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.21 156.09 4.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -63.08 -27.19 69.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.28 67.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -100.24 117.25 34.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLN . 11.5 m -109.42 153.6 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' VAL . 31.4 tt0 -34.85 -64.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -38.52 -57.96 1.79 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.424 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -35.81 -64.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.5 mm -52.13 -50.25 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -48.3 -34.71 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 -38.98 49.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 57' ' ' ILE . 45.5 mt -56.8 -43.67 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.47 34.12 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -58.58 -23.3 58.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.43 -41.94 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 93' ' ' SER . 27.2 mt -85.47 176.16 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -98.67 117.71 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.1 mt -103.33 115.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -74.91 -51.42 13.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 m -158.62 143.8 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.62 131.36 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -118.59 107.64 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.8 mt -88.1 107.29 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.862 HG23 ' HA ' ' A' ' 84' ' ' CYS . 19.5 t -60.95 135.02 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -148.55 -179.17 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.88 -178.86 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -87.86 -58.78 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.51 -64.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 60.7 p -65.56 -31.22 72.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 77' ' ' THR . 5.9 p-10 45.46 46.96 10.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -105.03 143.29 33.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -44.24 103.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HD3' HG12 ' A' ' 72' ' ' VAL . 18.3 mtpt -62.09 -39.18 91.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 -34.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 72' ' ' VAL . 31.4 p90 -114.98 166.18 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.862 ' HA ' HG23 ' A' ' 72' ' ' VAL . 6.7 p -158.66 162.17 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -112.38 126.21 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 88' ' ' PHE . 20.9 t -102.71 138.61 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -111.27 127.49 55.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 51.0 m-85 -107.13 170.83 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -84.08 -53.13 5.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.27 170.67 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.97 -23.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.71 -62.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.558 ' HA ' HD22 ' A' ' 64' ' ' LEU . 13.7 m -43.61 -60.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.4 tp -49.15 -48.29 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -52.59 -39.74 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -80.28 -29.67 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.83 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.59 -25.75 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -4.49 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -90.27 0.53 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -77.64 47.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.17 -32.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.83 159.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.02 128.5 53.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.85 HD22 HD21 ' A' ' 110' ' ' LEU . 39.4 tp -107.42 103.23 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.69 -118.51 14.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -98.59 21.25 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.6 OUTLIER -147.16 -178.78 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.7 m -110.59 174.95 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.85 HD21 HD22 ' A' ' 105' ' ' LEU . 67.3 mt -120.99 141.61 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -127.71 103.48 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 2.7 t -116.64 133.8 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.24 163.59 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.2 140.27 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.04 101.31 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -117.69 80.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -125.92 98.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 119' ' ' LYS . 19.7 tpp180 -63.47 151.59 40.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 118' ' ' ARG . 34.9 mmtt -123.23 136.8 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -127.14 163.46 23.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -153.34 146.08 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -125.83 149.67 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t -120.17 120.25 35.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.37 100.32 0.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.21 126.85 11.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.3 t -69.56 87.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.6 m -126.23 175.25 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m 56.03 43.0 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 p -118.16 130.71 56.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.55 -122.69 2.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 t -53.53 118.75 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -66.85 111.32 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 -106.78 2.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -72.69 113.98 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -104.17 153.73 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 21.5 mt -84.59 152.15 59.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.45 145.22 64.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -108.69 34.0 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.55 139.01 0.79 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.0 Cg_endo -79.9 168.73 18.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.74 -179.88 20.38 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.313 -0.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 91' ' ' VAL . 98.1 m-85 -111.6 110.64 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 m -109.34 145.68 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.801 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -137.59 135.01 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -92.09 136.75 32.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.5 121.09 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.54 -175.92 14.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 42.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 57' ' ' ILE . 27.8 mt -104.19 152.67 39.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.723 . . . . 0.0 110.962 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -46.33 153.38 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -54.85 -45.15 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -104.86 74.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.4 m -106.93 133.79 51.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 m -119.32 167.53 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.76 -50.05 18.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.87 -58.51 4.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -41.66 -58.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 48' ' ' LEU . 26.8 mm -55.56 -52.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 t70 -47.35 -34.03 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 -43.02 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.94 -45.77 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 66' ' ' ILE . 36.4 m-85 -109.44 33.58 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 63' ' ' ASP . 21.0 pttm -58.63 -51.41 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 21.2 m-20 -49.83 -38.4 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 61' ' ' PHE . 76.7 mt -75.39 172.84 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -100.26 85.14 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 61' ' ' PHE . 58.1 mt -72.6 104.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -44.65 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -169.54 145.28 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.52 132.11 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -115.38 107.09 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 84' ' ' CYS . 14.4 mt -96.49 110.68 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.19 144.3 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -142.73 145.69 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.37 174.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -105.58 -0.34 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.68 -64.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 p -86.68 -25.18 24.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.73 42.97 10.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -113.05 168.7 9.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.12 114.78 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -66.59 -31.89 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.06 12.14 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.32 142.0 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.629 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.4 p -145.82 169.63 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -115.87 135.18 54.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.99 133.29 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.89 138.26 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -120.03 140.11 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.03 -68.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -109.47 172.91 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 41' ' ' TYR . 9.8 p -67.31 -33.68 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -46.4 -60.19 2.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -53.81 -61.08 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.801 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 9.6 tp -42.88 -49.01 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 98' ' ' LEU . 13.3 ttpp -59.16 -51.74 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.55 -23.64 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.74 -28.57 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 55.4 mt -66.43 -8.79 28.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.9 p -86.43 -16.04 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.76 -13.56 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 11.0 p-10 -58.35 90.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.93 -7.01 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.4 162.34 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -110.69 131.97 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.45 99.72 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.26 -114.42 6.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.85 24.66 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -149.27 179.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 m -108.16 -179.36 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 mt -123.6 144.24 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.98 100.66 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.52 131.15 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.45 154.84 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -72.27 116.43 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.59 88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -73.64 98.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.63 -147.53 9.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.8 mtm105 -132.9 138.14 46.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.828 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.74 116.5 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -152.05 107.41 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -168.75 117.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -59.68 169.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -74.9 131.45 40.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -50.97 146.24 10.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.98 151.36 27.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.0 t -89.79 114.26 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -82.45 -51.81 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.439 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -92.03 136.34 33.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.0 m -145.51 153.03 40.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.57 157.07 29.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.7 m -118.54 -48.68 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -68.39 106.02 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.32 158.74 27.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.89 115.85 10.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.6 107.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 98' ' ' LEU . 45.5 mt -73.33 155.88 89.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 54.2 Cg_exo -49.21 147.06 12.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -102.27 -26.42 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 6.5 tp10 -145.83 140.48 15.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.7 Cg_endo -72.58 169.06 22.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.78 178.82 24.18 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.331 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 47.7 m-85 -120.79 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' GLU . 4.4 m -110.24 133.58 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.912 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -114.92 145.84 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -106.47 120.48 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.01 112.7 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.57 -172.46 17.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.04 41.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' A' ' 80' ' ' PHE . 25.6 mt -104.52 153.29 39.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.5 157.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 51' ' ' ASN . 16.5 p90 -51.43 -41.96 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 7.5 t-20 -116.99 80.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.1 m -106.31 139.71 40.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.47 156.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -21.78 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.66 -61.13 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.61 -58.24 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 86' ' ' VAL . 49.3 mm -51.38 -41.22 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.03 -42.86 77.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.46 -45.98 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 57' ' ' ILE . 57.4 mt -51.08 -41.8 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -106.56 26.33 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -55.68 -26.3 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.39 -38.19 71.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.578 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 70.5 mt -84.82 157.65 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.6 m -83.87 87.65 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.03 141.09 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -98.38 -49.25 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.3 p -168.32 156.21 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.75 129.71 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -120.28 112.32 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.681 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.5 mt -99.63 119.97 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.7 t -81.93 139.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -135.28 153.1 52.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.76 -177.22 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -109.12 -26.2 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -80.4 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -93.5 -16.7 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.4 t0 49.07 45.05 23.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -116.72 152.18 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 39.0 t80 -44.4 121.79 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -69.83 -38.46 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.552 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 134.82 -9.04 4.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -136.47 152.1 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.681 ' CB ' HD23 ' A' ' 71' ' ' LEU . 30.2 p -142.37 158.59 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -106.48 114.41 28.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 57' ' ' ILE . 66.0 t -102.76 127.6 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 42' ' ' THR . 15.4 mt-10 -99.63 156.96 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -133.58 155.38 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.55 -70.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -95.44 166.8 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 92' ' ' ASP . 7.6 p -70.32 -49.01 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.557 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.2 t70 -38.7 -50.9 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -45.25 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.912 HD13 ' HB2' ' A' ' 43' ' ' ALA . 10.3 tp -61.0 -52.5 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HA ' HD12 ' A' ' 98' ' ' LEU . 19.5 ttmt -39.47 -34.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.3 -48.7 10.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.578 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -52.39 -23.67 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.703 ' CD1' HD21 ' A' ' 35' ' ' LEU . 81.8 mt -60.68 -26.83 67.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASP . 35.6 p -66.56 -38.46 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -42.93 -23.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 13.5 p-10 -60.01 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.56 -9.96 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.28 166.27 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 104' ' ' LEU . 9.5 mt -105.85 133.37 50.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -109.89 94.22 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.47 -118.12 12.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -97.36 21.7 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -145.51 -177.21 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -108.28 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.0 mt -114.74 137.59 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -134.51 102.17 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 t -119.93 135.32 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.07 164.39 38.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.2 mt -77.05 117.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 95.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -103.84 137.93 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -164.79 -78.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -68.11 119.57 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -85.5 149.78 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -90.63 141.6 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.52 130.54 54.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.46 153.06 22.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -138.67 108.21 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.32 146.3 4.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -48.67 171.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 p -149.0 134.53 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.9 t -75.88 112.83 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' SER . 35.6 m -114.35 112.8 23.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' SER . 83.7 p -36.28 -42.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.52 111.9 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 t -94.09 101.05 13.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 t -144.83 139.89 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 97.04 2.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -93.64 147.68 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' HD13 ' A' ' 114' ' ' ILE . 5.9 mt-10 -110.08 89.92 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 98' ' ' LEU . 27.3 mt -80.31 151.75 72.67 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.581 0.705 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.96 135.11 31.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -82.0 -25.73 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.24 161.44 29.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.3 Cg_exo -59.66 166.87 7.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.1 Cg_endo -69.73 153.13 92.79 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.367 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 21.2 m-85 -108.02 86.21 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -103.97 144.94 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -127.05 153.88 45.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 115' ' ' ALA . 30.7 t80 -109.41 116.55 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.46 108.36 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.98 -178.38 19.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.52 45.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 57' ' ' ILE . 14.0 mt -111.74 144.06 29.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.81 164.72 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -71.11 -41.75 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -82.1 49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -107.82 136.07 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' GLN . 23.2 m -135.7 163.92 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.0 tt0 -37.17 -45.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.89 -62.81 5.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLY . 5.0 m-20 -35.55 -49.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 48' ' ' LEU . 23.2 mm -58.68 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 8.3 t70 -41.69 -30.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.48 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.71 -37.64 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -109.9 29.51 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -61.97 -14.58 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -3.16 59.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.3 mt -122.05 143.65 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -71.15 101.5 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 15.2 mt -90.68 133.85 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -94.45 -40.46 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 t -174.36 148.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.82 138.13 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -114.68 104.1 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 84' ' ' CYS . 95.8 mt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.55 144.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -137.54 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.52 179.65 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -111.81 -29.46 7.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.1 -67.46 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -84.54 -28.06 26.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 69.79 47.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -120.52 157.49 29.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -55.16 129.96 40.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -80.42 -41.69 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.44 24.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 4.9 p90 -162.48 143.97 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.565 ' CB ' HD23 ' A' ' 71' ' ' LEU . 29.7 p -154.09 163.54 39.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -105.59 134.11 49.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.2 t -111.15 122.37 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -91.43 114.57 27.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 64.1 m-85 -88.11 172.89 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.58 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -105.78 151.78 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 8.8 p -53.11 -22.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.83 -45.96 76.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 69.0 m -55.88 -44.02 77.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.5 tp -68.76 -43.37 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -50.83 -43.97 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -71.54 -44.8 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.93 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 35' ' ' LEU . 42.4 mt -68.75 -14.72 63.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 p -83.7 -12.87 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 112' ' ' VAL . 29.1 m-85 -75.18 -5.87 46.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.56 95.02 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.17 -11.11 4.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.03 166.32 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.56 132.98 53.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 110' ' ' LEU . 12.3 tp -109.55 98.73 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.25 -118.28 10.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -98.54 17.98 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.313 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -142.16 -176.11 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.7 m -108.08 175.67 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 105' ' ' LEU . 80.8 mt -119.63 143.02 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 99.61 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 100' ' ' TYR . 4.5 t -114.5 107.87 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -131.3 157.74 42.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 34' ' ' GLU . 33.3 mt -62.43 140.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . -119.26 50.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -91.61 84.54 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -66.2 139.99 38.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -77.09 95.71 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -117.75 81.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.59 112.49 13.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.82 161.84 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -69.46 -52.37 27.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.0 p -171.45 143.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.74 83.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.22 154.19 66.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 t -128.88 148.3 50.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.4 p -79.09 115.13 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.547 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' GLY . 3.5 m 34.45 50.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -58.17 132.1 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.51 -155.82 21.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -123.96 112.9 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 172.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB2' HD12 ' A' ' 114' ' ' ILE . 37.8 mttt -56.99 178.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.728 0.299 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.811 ' O ' HD13 ' A' ' 114' ' ' ILE . 2.6 mp0 -61.47 128.29 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt -102.62 151.92 38.33 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.37 146.17 67.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -102.79 -25.34 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 7.9 tp10 -132.39 140.28 37.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 50.4 Cg_endo -72.64 168.98 23.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.75 -179.16 18.4 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.32 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 31.9 m-85 -124.28 109.35 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -110.76 145.29 38.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.943 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.1 151.45 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.9 t80 -101.01 132.44 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.23 125.78 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.43 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.83 38.1 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 52' ' ' THR . 67.7 mt -93.65 154.66 41.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.712 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.11 155.26 1.02 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -50.94 -38.52 50.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -118.04 76.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.612 HG21 HD13 ' A' ' 48' ' ' LEU . 23.0 m -98.93 98.97 9.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.5 m -89.41 157.57 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.2 tp60 -35.86 -49.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.06 -61.14 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.554 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -34.89 -64.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -47.1 -52.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.38 -45.97 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.84 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.0 mt -51.21 -54.9 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.0 m-85 -105.46 33.8 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 14.5 pttp -57.3 -44.29 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 18.7 m-20 -57.98 -40.24 80.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 93' ' ' SER . 37.4 mt -76.53 174.46 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -97.75 100.76 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 61' ' ' PHE . 72.4 mt -90.81 108.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.86 -50.57 64.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -166.94 155.89 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' CD ' ' A' ' 54' ' ' GLN . 98.3 t -121.48 133.91 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -123.12 108.89 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 84' ' ' CYS . 37.7 mt -93.58 148.86 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.39 142.54 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 73' ' ' ARG . 26.3 mtm105 -135.14 166.14 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.57 162.59 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -95.35 -1.6 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.2 -39.5 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.418 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 62.8 p -106.93 -38.02 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 77' ' ' THR . 0.5 OUTLIER 69.55 38.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -119.49 146.33 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.563 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 32.2 t80 -42.78 123.53 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -74.96 -37.02 62.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.39 8.77 3.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -153.54 141.54 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.55 ' HB3' HD23 ' A' ' 71' ' ' LEU . 30.0 p -147.63 172.96 13.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.16 125.27 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -110.37 123.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -92.98 152.88 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 95.9 m-85 -130.3 157.75 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.47 -66.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -105.96 174.23 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 92' ' ' ASP . 10.9 p -67.25 -43.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 91' ' ' VAL . 39.9 t0 -40.23 -59.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.528 ' HA ' HD22 ' A' ' 64' ' ' LEU . 58.4 m -42.32 -44.19 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.943 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.5 tp -71.94 -58.3 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.5 tttt -43.01 -30.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -85.47 -41.81 15.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.43 -15.31 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 95' ' ' LYS . 73.7 mt -72.91 -35.11 67.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.3 p -66.07 -9.7 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -85.21 1.89 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 3.5 p-10 -81.76 48.36 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.54 -39.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.1 174.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -113.99 129.59 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.5 tp -106.08 97.18 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.61 -113.4 5.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.81 24.05 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -151.54 -175.68 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -113.88 167.78 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.59 140.25 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -132.17 100.42 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.6 111.26 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -122.31 154.88 37.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 34' ' ' GLU . 64.3 mt -66.9 117.79 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.69 83.44 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -99.51 47.18 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 46.81 -120.66 5.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -157.21 106.18 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -54.05 123.58 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -149.99 108.15 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.78 133.27 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -63.76 -39.11 93.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.7 m 47.64 47.76 17.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -127.92 97.69 0.46 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.42 94.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.2 t -60.59 173.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.7 t -167.36 131.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.4 m -117.1 142.92 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -112.94 106.51 14.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.9 -86.13 1.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -168.73 139.51 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.1 m -140.49 169.45 17.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.28 -88.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -85.81 123.18 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.63 160.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.6 mt -115.44 154.41 47.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -48.07 132.14 22.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.2 m -86.24 -40.71 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -134.79 153.18 78.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.8 Cg_endo -75.55 168.87 23.55 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.76 -179.03 18.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.376 -0.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -121.02 103.48 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 m -103.29 144.83 30.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -129.24 145.45 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 4.8 t80 -99.05 136.04 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -134.67 114.68 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.44 178.23 16.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.07 43.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.52 143.06 27.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.21 164.75 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.28 -34.57 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -89.41 48.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 m -109.55 121.11 44.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.35 168.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' N ' HD11 ' A' ' 71' ' ' LEU . 25.0 tt0 -43.16 -59.63 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -42.91 -62.67 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.4 t70 -36.07 -52.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 60' ' ' ILE . 40.0 mm -62.32 -45.29 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HA ' HD13 ' A' ' 66' ' ' ILE . 6.7 t70 -51.78 -30.17 21.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.88 -47.24 15.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 57' ' ' ILE . 81.9 mt -49.66 -47.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' HD1' HD12 ' A' ' 64' ' ' LEU . 98.3 m-85 -105.19 34.62 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -60.26 -32.43 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.51 -41.98 92.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' HD1' ' A' ' 61' ' ' PHE . 45.4 mt -81.08 163.19 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.3 p -82.8 101.57 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 58' ' ' ASP . 57.2 mt -90.21 114.25 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -78.39 -64.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -149.57 136.88 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.4 t -106.85 117.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -103.14 122.28 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD23 ' CB ' ' A' ' 84' ' ' CYS . 51.1 mt -105.41 108.96 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 73' ' ' ARG . 96.3 t -52.56 154.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 72' ' ' VAL . 10.4 ttm-85 -155.7 143.91 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CB ' ' OG1' ' A' ' 77' ' ' THR . 4.6 m-20 -58.22 168.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -90.04 -26.51 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.69 -53.31 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 74' ' ' ASP . 58.6 p -71.38 -19.1 62.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' C ' ' HG2' ' A' ' 73' ' ' ARG . 5.5 p-10 37.44 52.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -125.55 150.63 47.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -51.76 113.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -56.37 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.05 -25.41 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -120.06 170.95 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.516 ' CB ' HD23 ' A' ' 71' ' ' LEU . 15.7 p -159.74 158.93 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 96.1 m-85 -107.76 121.32 44.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.18 123.44 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -93.39 145.26 24.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 88.0 m-85 -119.22 157.22 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.57 -58.65 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -105.36 168.55 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.95 -32.87 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' SER . 2.9 t0 -54.43 -62.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.558 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 22.8 m -37.77 -53.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 43' ' ' ALA . 15.3 tp -60.42 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 98' ' ' LEU . 8.1 mtpm? -45.63 -45.91 14.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.06 -47.55 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.78 -28.1 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' LYS . 87.0 mt -59.38 -25.15 64.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 101' ' ' ASP . 21.3 p -74.76 -40.14 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -45.81 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.9 p-10 -58.38 92.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -14.18 3.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.33 166.11 17.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.01 133.56 53.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -102.78 90.02 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.82 -111.31 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -99.16 12.58 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -136.59 -177.69 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -113.92 167.43 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.2 mt -114.51 140.36 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -134.48 99.16 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.69 136.77 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.63 158.39 44.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.79 111.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.25 105.48 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -44.01 153.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -94.97 126.88 8.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 80.28 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -85.3 159.45 20.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -130.3 153.79 48.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.77 155.53 46.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 170.63 10.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 85.0 p -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -49.35 171.42 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.79 146.11 42.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.2 p -104.27 175.3 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.4 t 55.18 42.21 30.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -110.47 16.55 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 m -109.71 132.52 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.79 -41.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -119.8 -56.01 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -86.69 146.38 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.37 -46.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 114' ' ' ILE . 15.1 mmmt -53.89 108.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LYS . 3.4 tt0 -35.07 136.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.72 HD13 ' CG2' ' A' ' 91' ' ' VAL . 39.5 mt -73.85 154.42 89.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.33 117.29 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 p -45.73 -38.95 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -146.51 155.27 49.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.58 169.7 15.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.68 159.77 88.88 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.75 83.89 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 43' ' ' ALA . 98.3 m -95.53 153.07 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.804 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.47 151.91 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -101.82 128.18 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.35 110.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.61 -174.02 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.19 48.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 57' ' ' ILE . 16.8 mt -123.18 142.7 39.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -49.03 159.16 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -71.01 -6.38 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -96.36 8.71 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.408 HG21 HD13 ' A' ' 48' ' ' LEU . 54.1 m -86.6 121.68 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.11 170.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.619 ' N ' HD11 ' A' ' 71' ' ' LEU . 13.4 tt0 -41.16 -51.19 3.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.5 -44.12 45.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.92 -63.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD13 ' A' ' 48' ' ' LEU . 43.9 mm -44.77 -47.08 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.11 -40.81 90.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -65.9 -39.95 91.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.7 mt -58.36 -58.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' C ' HD11 ' A' ' 66' ' ' ILE . 27.4 m-85 -94.49 27.69 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 59' ' ' ALA . 18.6 ptmt -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.33 -37.51 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.52 -175.31 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -102.82 107.48 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 61' ' ' PHE . 11.6 mt -103.01 104.81 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -64.1 -49.58 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -163.41 157.53 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.52 131.35 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtm-85 -111.89 105.8 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 54' ' ' GLN . 41.9 mt -90.07 134.56 34.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.434 HG12 ' HG3' ' A' ' 81' ' ' LYS . 95.2 t -99.91 126.89 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.35 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.6 -175.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -107.49 -44.97 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.19 -52.6 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.5 p -88.7 -32.58 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 64.46 36.31 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -100.3 152.06 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.02 114.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.0 mmtt -59.74 -48.28 82.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -121.36 148.93 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 10.4 p -147.25 177.7 8.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.28 126.36 43.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.3 t -105.87 134.62 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -97.75 145.98 25.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -126.0 132.03 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.36 -53.27 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -112.63 150.33 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.72 ' CG2' HD13 ' A' ' 35' ' ' LEU . 14.4 p -58.66 -37.34 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -43.87 -63.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m -43.36 -61.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.5 tp -47.02 -60.97 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.3 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.53 -36.21 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -15.13 62.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 112' ' ' VAL . 67.4 mt -78.69 -24.28 45.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.8 p -59.23 -21.81 60.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.486 ' HB2' HG21 ' A' ' 112' ' ' VAL . 6.0 m-85 -68.99 -2.23 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.3 p-10 -71.01 98.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.32 -3.31 11.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 165.34 15.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.92 134.37 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.41 HD22 HD21 ' A' ' 110' ' ' LEU . 26.6 tp -108.38 93.24 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.74 -114.56 6.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.528 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -100.03 20.95 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -145.19 -177.74 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -110.67 171.99 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.41 HD21 HD22 ' A' ' 105' ' ' LEU . 50.2 mt -117.69 143.5 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 101.96 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 100' ' ' TYR . 3.6 t -116.34 130.96 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.71 163.21 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 33' ' ' LYS . 85.4 mt -84.68 118.91 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.85 79.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -44.94 152.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.0 -171.2 16.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -43.54 167.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -158.44 152.7 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -80.96 -179.73 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.21 148.07 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -121.02 113.08 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.7 t -150.64 135.69 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.34 -73.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.91 -31.45 15.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 m -72.08 108.37 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t -130.75 82.32 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.433 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t 68.81 51.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -117.07 149.16 40.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.75 171.02 34.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.8 p -116.4 102.82 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -42.89 -56.86 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.83 166.6 20.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -87.86 166.02 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -93.69 146.57 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 98' ' ' LEU . 26.6 mt -90.39 157.0 45.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.9 123.24 9.55 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 37' ' ' THR . 17.3 m -99.8 38.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -175.13 140.98 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.675 0.75 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.4 Cg_endo -80.04 168.83 18.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.392 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -104.39 106.43 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -108.45 142.99 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.99 154.44 44.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.4 t80 -113.04 136.91 52.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.87 124.83 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.86 -177.2 14.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.32 48.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.73 144.0 31.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -48.48 155.65 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CE2' ' OD1' ' A' ' 51' ' ' ASN . 38.3 p90 -70.57 -4.35 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.443 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 9.1 m120 -120.7 39.31 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.8 m -96.11 131.14 42.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.66 168.52 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -46.18 -47.1 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.82 -64.89 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.38 -57.86 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 46.0 mm -50.37 -61.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -41.36 -43.81 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.73 62.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.3 mt -48.55 -53.82 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.963 ' HB2' HD11 ' A' ' 66' ' ' ILE . 31.2 m-85 -101.04 30.07 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -55.04 -51.15 67.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.66 -40.03 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.58 160.88 29.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -91.2 82.21 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 61' ' ' PHE . 90.3 mt -72.39 112.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -63.66 -46.51 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -173.92 140.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.81 124.77 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -107.89 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' CB ' ' A' ' 84' ' ' CYS . 32.4 mt -103.7 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG12 ' HG3' ' A' ' 81' ' ' LYS . 24.0 t -76.7 144.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -140.78 150.33 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.75 172.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -95.86 -38.45 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.25 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.7 p -60.6 -20.73 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.77 35.16 11.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -101.37 167.48 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.43 137.35 53.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.665 ' HG3' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.0 -68.15 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.78 -24.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.52 149.07 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.9 p -143.01 156.37 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -111.98 127.97 56.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 66' ' ' ILE . 84.9 t -107.53 119.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -88.47 160.31 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 92.8 m-85 -141.5 176.7 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.66 -49.57 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -110.88 175.44 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 3.9 p -80.2 -42.21 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 3.4 p30 -44.14 -42.53 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.476 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 62.1 m -58.26 -60.89 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.8 tp -53.34 -48.09 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -54.28 -48.91 70.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.82 -26.95 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.62 -30.54 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -66.01 -11.11 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -79.8 -31.07 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.89 -16.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.39 95.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.89 -14.21 4.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.45 164.73 20.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.87 90.11 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.85 -110.89 3.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -99.83 5.78 45.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -130.44 -176.89 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 p -114.66 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.98 140.6 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -128.33 99.66 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.61 118.36 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -139.12 165.73 26.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -66.64 126.13 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.1 88.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -104.16 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 131.69 100.03 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -82.45 -53.46 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -66.14 -51.31 59.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -107.34 110.8 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -102.95 153.23 20.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -62.94 123.98 19.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 t -95.78 88.82 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -91.9 -85.36 1.48 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.67 126.01 12.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.2 m -92.63 -50.06 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.3 p -140.77 143.77 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.518 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 114' ' ' ILE . 39.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.598 0.713 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -48.09 157.04 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.3 m -94.2 -34.48 12.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -148.01 156.6 43.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.653 0.739 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.7 169.6 15.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.72 156.98 92.42 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.352 -0.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 76.5 m-85 -98.72 84.84 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -77.61 141.92 39.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -135.23 144.72 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -103.01 131.57 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.88 109.39 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.11 -176.76 19.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.26 40.7 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.42 144.19 28.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -48.61 159.99 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -67.61 -44.0 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -85.02 54.61 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.661 ' CG2' HD11 ' A' ' 57' ' ' ILE . 96.9 m -109.49 127.9 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' GLN . 29.8 m -131.77 162.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' VAL . 23.9 mt-30 -35.86 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.7 -61.15 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.64 -53.02 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' CG2' ' A' ' 52' ' ' THR . 13.6 mm -52.62 -49.48 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.94 -48.82 60.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.99 76.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.16 -56.53 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 66' ' ' ILE . 65.7 m-85 -100.94 33.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 22.9 pttm -58.88 -53.43 58.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 2.4 m-20 -45.36 -32.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 93' ' ' SER . 43.0 mt -87.66 -179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -112.52 106.47 14.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 61' ' ' PHE . 53.7 mt -95.52 115.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -73.2 -50.84 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 t -150.33 161.99 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -136.69 141.96 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -126.63 115.81 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 84' ' ' CYS . 50.9 mt -102.57 153.4 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' CE1' ' A' ' 83' ' ' PHE . 91.0 t -104.78 148.61 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -152.39 144.44 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.08 167.94 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.53 -31.44 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -85.36 -70.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.7 p -62.32 -46.86 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t70 74.1 40.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -130.47 149.69 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -39.25 127.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -78.67 -42.09 29.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.63 -12.42 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CE1' HG21 ' A' ' 72' ' ' VAL . 37.1 p90 -126.97 145.2 50.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.474 ' HB2' HD23 ' A' ' 71' ' ' LEU . 28.2 p -150.05 159.03 44.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.87 125.38 53.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.29 138.09 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.59 144.0 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 98.8 m-85 -124.41 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.78 -71.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -101.49 172.18 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 4.9 p -67.81 -35.19 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.09 -56.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.468 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 2.2 m -50.84 -52.94 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 43' ' ' ALA . 21.6 tp -55.31 -55.58 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.47 -48.28 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.87 -34.83 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.77 -19.69 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.55 -13.52 60.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -80.79 5.46 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.507 ' HB2' HG21 ' A' ' 112' ' ' VAL . 31.3 m-85 -97.12 0.91 49.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -74.58 81.81 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.92 -13.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.95 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.77 133.71 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.1 tp -107.54 94.96 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.56 -114.48 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -98.59 22.09 10.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -147.41 178.45 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -110.17 172.68 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.13 146.86 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.33 100.84 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.7 t -114.88 123.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.33 155.49 42.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -71.78 115.36 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.834 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.7 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.651 0.738 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.15 131.24 17.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 t -82.64 -31.43 28.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -145.79 149.26 39.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.4 Cg_endo -67.72 169.65 15.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 177.91 27.16 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 -0.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 50.3 m-85 -119.44 116.29 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.3 m -106.95 140.23 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.6 147.46 50.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.9 t80 -106.42 126.49 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.93 110.14 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.83 -175.06 15.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.1 51.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 57' ' ' ILE . 17.7 mt -116.85 144.09 32.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.89 166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -72.74 -20.48 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -101.72 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.3 m -110.0 135.17 51.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.28 175.69 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.36 -55.18 7.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -47.52 -53.49 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.99 -58.2 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.751 HD11 HD13 ' A' ' 48' ' ' LEU . 18.1 mm -56.93 -56.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -47.09 -36.86 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.8 -46.0 76.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.93 -41.26 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.716 ' HB2' HD11 ' A' ' 66' ' ' ILE . 57.5 m-85 -103.11 31.91 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.43 -8.43 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.01 -31.68 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 14.7 mt -95.57 166.88 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -87.28 119.49 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 61' ' ' PHE . 86.4 mt -113.92 107.09 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -64.37 -46.47 83.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 t -171.34 152.89 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.8 138.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -118.6 103.51 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 84' ' ' CYS . 41.2 mt -88.85 123.87 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 83' ' ' PHE . 67.4 t -80.64 127.04 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -135.56 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.59 -178.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -110.03 -27.22 9.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.53 -65.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.2 p -69.97 -31.1 68.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.93 45.94 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -122.65 169.1 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -56.6 143.79 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -97.43 -49.57 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 140.97 -23.33 2.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.405 ' HE1' HG21 ' A' ' 72' ' ' VAL . 39.1 p90 -123.32 140.69 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 71' ' ' LEU . 11.7 p -145.47 163.11 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -119.35 128.65 54.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.21 145.94 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -107.53 134.07 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.09 153.72 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.02 -66.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 13.2 p -80.41 -35.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.41 -48.95 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 m -52.58 -59.96 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.8 tp -51.43 -57.81 7.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' A' ' 98' ' ' LEU . 17.3 tttp -47.22 -37.56 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.02 -37.93 57.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -68.4 -16.52 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 95' ' ' LYS . 85.2 mt -72.24 -27.76 62.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -60.32 -18.12 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.32 -5.55 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -69.51 77.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.32 -9.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.8 159.71 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 mt -104.34 140.43 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.648 HD22 HD21 ' A' ' 110' ' ' LEU . 41.7 tp -111.88 89.95 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.24 -114.88 7.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.28 16.91 20.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -141.01 179.53 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -110.54 168.0 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.648 HD21 HD22 ' A' ' 105' ' ' LEU . 73.3 mt -116.87 145.46 43.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -134.06 99.26 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.97 132.89 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.7 156.71 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.51 127.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.825 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD11 ' HE2' ' A' ' 95' ' ' LYS . 91.6 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.571 0.7 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -70.06 126.19 12.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.3 p -69.84 -40.96 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -141.5 161.1 54.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.68 169.61 15.61 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.76 175.02 38.2 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.385 -0.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -122.26 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.2 m -95.33 129.17 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -120.61 145.58 47.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -104.06 130.87 51.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.83 123.01 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.23 -174.58 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.18 41.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD13 HG21 ' A' ' 52' ' ' THR . 77.9 mt -102.41 150.95 38.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.61 146.94 7.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.88 -45.38 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.39 77.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.457 HG21 HD13 ' A' ' 48' ' ' LEU . 59.2 m -101.12 125.8 47.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.87 154.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -40.92 -42.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.01 38.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -49.16 -62.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 60' ' ' ILE . 48.0 mm -50.29 -51.31 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -49.11 -39.31 27.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.56 -42.08 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 57' ' ' ILE . 46.4 mt -58.45 -57.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -96.74 27.94 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -32.43 66.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -35.96 82.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.66 179.41 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -99.18 88.48 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 44.4 mt -77.7 126.58 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -90.83 -49.53 6.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -162.26 149.56 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.62 104.45 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -85.88 116.26 24.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 84' ' ' CYS . 69.9 mt -101.68 118.76 37.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' HG3' ' A' ' 81' ' ' LYS . 41.1 t -81.9 126.19 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -133.3 142.66 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -53.39 177.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -110.39 -23.31 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.87 -48.44 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -91.29 -33.61 15.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.61 45.2 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -120.07 148.9 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CZ ' ' C ' ' A' ' 82' ' ' GLY . 41.4 t80 -48.96 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.9 mmtt -46.63 -46.86 20.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 145.94 -29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -116.12 172.6 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.818 ' HB3' HD23 ' A' ' 71' ' ' LEU . 28.2 p -161.61 152.49 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -102.58 122.86 45.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.1 t -104.98 122.61 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -92.43 138.8 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.25 163.77 15.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -82.97 -65.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.13 175.27 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.73 -33.15 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.38 -46.69 73.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -55.96 -56.23 23.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.9 tp -51.26 -61.2 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.619 ' HA ' HD12 ' A' ' 98' ' ' LEU . 37.5 tttm -46.98 -52.81 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -34.22 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.23 -21.09 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 95' ' ' LYS . 49.8 mt -72.51 -12.82 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -86.5 -26.32 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.78 -17.25 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.57 101.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.72 -17.89 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.27 172.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.7 mt -111.65 131.25 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 HD21 ' A' ' 110' ' ' LEU . 28.2 tp -100.78 90.67 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.28 -113.68 5.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.97 12.17 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -136.03 -179.52 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -107.58 163.43 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.431 HD21 HD22 ' A' ' 105' ' ' LEU . 49.8 mt -108.79 140.89 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -134.62 99.59 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 t -113.05 122.46 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -135.96 150.91 49.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.91 129.32 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.798 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -45.14 133.35 11.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.396 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.1 p -78.69 -29.35 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -149.28 152.54 36.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 39.3 Cg_endo -68.08 169.55 16.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.83 175.59 36.19 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.36 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.0 m-85 -123.11 111.09 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 m -109.71 147.02 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -125.7 148.4 49.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.6 t80 -99.48 129.53 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -132.13 109.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.11 -179.66 17.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.91 51.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.52 144.09 29.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.98 164.71 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -70.02 -36.12 74.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.09 46.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -106.76 136.93 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.56 171.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -41.06 -55.18 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -50.41 -61.54 5.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 7.2 t0 -35.32 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -50.65 -39.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 24.4 t70 -56.82 -38.68 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.27 63.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.53 -41.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 66' ' ' ILE . 71.2 m-85 -113.84 32.93 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.37 -18.55 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.64 -38.29 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.3 mt -86.82 -177.57 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -96.96 113.91 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 61' ' ' PHE . 94.3 mt -103.68 114.44 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -81.14 -58.13 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 t -157.12 148.32 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.9 t -120.69 104.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -88.9 101.06 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.589 HD23 ' CB ' ' A' ' 84' ' ' CYS . 26.7 mt -83.73 117.57 23.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.81 149.25 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 173.47 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' CG ' ' HD3' ' A' ' 81' ' ' LYS . 3.5 m-20 -81.22 176.73 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -98.18 -28.37 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -99.83 -55.43 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.1 p -77.58 -29.61 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.99 48.51 20.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' PHE . 16.5 mtpt -123.88 137.23 54.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LYS . 22.6 t80 -34.82 111.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD3' ' CG ' ' A' ' 74' ' ' ASP . 2.9 mmmp? -60.01 -43.9 94.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.423 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 149.32 -27.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -116.68 153.95 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.589 ' CB ' HD23 ' A' ' 71' ' ' LEU . 22.0 p -149.19 156.62 42.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -103.99 122.21 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.59 126.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.72 154.88 17.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.41 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 80.0 m-85 -129.97 166.39 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -70.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -99.49 -177.25 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 7.5 p -81.89 -30.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.42 -46.31 73.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.466 ' HA ' HD22 ' A' ' 64' ' ' LEU . 2.5 m -55.79 -50.12 71.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.72 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 21.3 tp -60.46 -58.4 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.72 ' HA ' HD12 ' A' ' 98' ' ' LEU . 2.6 ttpm? -44.21 -43.0 6.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -70.43 -35.86 73.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.61 -20.27 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 95' ' ' LYS . 65.4 mt -70.01 -14.73 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.9 p -78.47 -27.89 46.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -57.87 -13.54 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.51 87.23 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 -7.91 2.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.76 168.78 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.13 132.57 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.476 HD22 HD21 ' A' ' 110' ' ' LEU . 25.4 tp -109.05 96.45 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.54 -116.34 8.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.0 19.41 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -144.54 -175.11 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -112.56 -177.52 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.476 HD21 HD22 ' A' ' 105' ' ' LEU . 41.4 mt -130.27 147.41 51.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -132.41 102.85 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -115.1 120.57 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -139.06 158.55 43.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.84 110.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.813 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 98' ' ' LEU . 94.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.614 0.721 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -45.63 131.13 12.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -73.35 -25.06 60.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.64 152.75 29.31 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.74 169.65 15.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.79 177.65 28.23 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -122.71 106.76 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.1 m -118.71 142.64 47.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.791 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -123.04 143.42 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.61 134.83 34.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 t -132.45 125.33 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.55 -179.55 15.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER 69.46 39.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.8 mt -94.66 156.64 38.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -48.09 160.97 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -58.5 -50.46 73.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -108.6 76.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -100.89 126.39 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' GLN . 25.0 m -115.95 158.85 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' VAL . 32.2 tt0 -36.95 -50.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -43.2 -57.79 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -45.42 -68.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.339 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.594 ' HA ' HD12 ' A' ' 60' ' ' ILE . 33.7 mm -46.77 -54.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -27.37 3.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.64 -39.41 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 57' ' ' ILE . 66.9 mt -55.68 -43.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.719 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.3 m-85 -107.93 29.05 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 10.2 ptmm? -51.66 -46.72 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 33.8 t70 -47.99 -49.07 31.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.13 172.16 12.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -100.04 88.78 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 61' ' ' PHE . 28.5 mt -75.28 135.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -98.48 -47.43 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 t -154.74 153.14 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.16 115.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -98.16 112.74 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 84' ' ' CYS . 40.6 mt -99.29 115.1 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -73.0 144.75 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -147.98 161.24 41.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.14 -175.28 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -116.6 -39.59 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -43.94 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.5 p -95.67 -37.19 10.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 65.71 46.7 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -107.84 171.74 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 81' ' ' LYS . 49.0 t80 -77.11 91.47 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' PHE . 10.8 mmmt -35.97 -44.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.08 -13.47 6.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -126.54 145.86 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.414 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.8 p -147.37 155.7 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -104.3 125.68 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' A' ' 88' ' ' PHE . 87.0 t -104.51 122.47 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -91.32 159.53 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CE1' HG12 ' A' ' 86' ' ' VAL . 83.1 m-85 -142.31 154.51 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -71.72 -47.54 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -118.4 176.5 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -79.59 -37.55 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -41.22 -56.48 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.469 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 20.0 m -48.15 -54.61 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.9 tp -56.3 -52.93 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 98' ' ' LEU . 30.4 tttp -45.23 -37.47 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.34 -42.65 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.17 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 35' ' ' LEU . 79.9 mt -70.45 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 p -91.13 -10.95 40.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.42 1.5 37.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -77.46 46.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.72 -36.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.51 169.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 104' ' ' LEU . 10.3 mt -117.09 128.27 54.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.2 tp -105.65 94.01 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.98 -114.57 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -99.84 13.09 34.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.427 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -136.93 178.14 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 p -106.89 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.99 135.25 55.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -126.94 102.33 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -118.05 122.6 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.33 169.89 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.2 mt -87.57 120.48 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.884 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.78 156.59 64.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m -106.4 -38.31 6.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.09 153.91 75.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.491 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.76 169.57 15.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.85 168.5 67.59 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.21 102.04 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -109.8 148.18 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.24 145.19 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -97.58 141.61 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.7 t -139.52 123.55 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 -176.09 14.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.11 48.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.88 143.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.81 162.58 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.61 -36.62 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -85.92 47.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -105.2 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -114.59 154.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -37.67 -44.06 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.62 -59.15 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.61 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.7 mm -45.47 -49.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.73 -42.48 57.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.33 76.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 57' ' ' ILE . 62.7 mt -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -91.92 24.04 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -34.66 16.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -66.69 -38.53 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 96' ' ' GLU . 83.5 mt -82.91 -179.29 7.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 m -97.7 125.37 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.26 111.49 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -83.57 -37.52 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -171.18 148.49 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.34 114.75 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -95.38 111.08 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 84' ' ' CYS . 36.9 mt -93.04 116.84 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 83' ' ' PHE . 60.5 t -64.4 122.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -111.94 174.36 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.71 -179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -96.79 -20.66 18.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.18 -70.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -63.57 -24.52 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.53 39.84 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' PHE . 15.0 mmmt -121.62 157.96 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' LYS . 26.8 t80 -35.06 152.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -116.2 -39.37 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.62 -38.31 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' A' ' 72' ' ' VAL . 4.8 p90 -111.53 154.6 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.539 ' HB3' HD23 ' A' ' 71' ' ' LEU . 1.7 p -148.84 163.15 38.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -114.07 125.73 54.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.9 t -103.27 133.16 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.23 135.17 41.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 97.9 m-85 -116.38 154.29 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -66.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -100.99 173.44 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 92' ' ' ASP . 9.6 p -68.3 -48.79 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 91' ' ' VAL . 6.7 m-20 -36.44 -60.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.55 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 37.5 m -40.91 -53.25 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.627 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.6 tp -60.78 -69.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LEU . 26.4 ttpt -35.68 -45.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.75 -53.72 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.44 -38.47 43.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.17 -18.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 96' ' ' GLU . 46.6 p -76.45 -36.86 57.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB2' HG21 ' A' ' 112' ' ' VAL . 17.7 m-85 -47.82 -20.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.76 84.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' TYR . . . 144.97 -13.01 1.91 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.43 169.12 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -114.84 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.64 98.06 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.5 -116.76 9.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.09 18.48 17.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.344 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -142.02 174.42 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.6 m -101.03 179.04 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 mt -124.86 143.8 50.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -134.66 99.35 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 100' ' ' TYR . 5.2 t -110.88 129.84 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.28 154.7 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.9 mt -70.91 112.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.818 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -46.31 134.97 15.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.1 p -87.58 -34.55 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -149.96 152.94 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.673 0.749 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.5 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 43.6 Cg_endo -70.28 169.29 19.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 164.59 78.74 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.372 -0.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 49.6 m-85 -106.77 122.08 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -120.91 138.94 53.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.994 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.23 144.38 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 1.2 t80 -96.37 129.83 43.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.3 103.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.14 -174.95 18.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.84 47.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 57' ' ' ILE . 20.1 mt -118.24 144.04 34.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -48.97 160.66 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.74 -41.5 92.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.9 44.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 m -99.41 134.05 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.84 161.35 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -41.87 -43.33 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -52.64 -65.08 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -38.15 -51.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 48' ' ' LEU . 46.5 mm -56.24 -56.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -41.73 -41.76 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.81 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -54.72 -38.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 66' ' ' ILE . 69.6 m-85 -111.46 30.65 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.42 -12.33 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.18 -25.45 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 61' ' ' PHE . 33.5 mt -99.4 155.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -76.89 123.98 27.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 61' ' ' PHE . 62.1 mt -119.08 108.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -79.62 -44.66 20.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -162.08 155.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.45 125.3 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -102.26 104.27 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.691 HD23 ' HB3' ' A' ' 84' ' ' CYS . 31.4 mt -84.32 104.83 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 83' ' ' PHE . 47.1 t -54.14 122.83 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -138.99 166.05 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.68 -177.34 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -95.22 -48.32 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.32 -64.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 71.7 p -65.95 -34.32 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' THR . 3.4 p30 49.01 39.35 14.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' PHE . 78.7 mttt -111.83 130.68 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LYS . 39.3 t80 -35.93 107.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -55.07 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.9 -28.2 0.13 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 72' ' ' VAL . 10.1 p90 -114.55 146.01 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.691 ' HB3' HD23 ' A' ' 71' ' ' LEU . 20.4 p -139.24 161.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -115.67 128.35 55.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.2 t -102.78 137.98 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.55 116.04 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 59.4 m-85 -97.13 137.84 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.21 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -97.55 177.16 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 7.2 p -81.03 -26.06 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.25 -45.79 92.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.582 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 4.8 m -52.36 -58.83 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 43' ' ' ALA . 14.7 tp -56.51 -52.18 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -48.5 -39.86 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 tp10 -70.85 -45.22 64.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.04 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.44 -17.77 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 96' ' ' GLU . 15.0 p -79.5 -23.61 42.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.36 -10.51 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 18.6 p-10 -70.0 93.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -9.87 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.6 158.36 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.86 148.83 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.9 tp -106.83 90.15 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.13 -110.42 3.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.09 16.09 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -140.58 -175.16 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -115.21 162.11 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 mt -112.77 144.42 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -130.94 99.23 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.03 131.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -157.83 148.77 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.89 123.08 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.838 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.43 131.6 22.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.75 2.3 . . . . 0.0 112.343 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -97.08 -12.1 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.73 144.55 18.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.2 Cg_endo -72.58 169.07 22.74 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.4 Cg_endo -69.77 172.88 46.99 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.328 -0.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -117.77 94.04 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.3 m -91.32 142.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.63 149.75 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -103.76 127.56 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.95 118.56 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.16 -176.32 14.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.72 52.13 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HD11 ' A' ' 57' ' ' ILE . 19.1 mt -112.81 143.44 29.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 54.5 Cg_exo -49.12 162.84 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.83 -42.51 90.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -82.69 44.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -106.19 122.95 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.69 176.77 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -41.19 -47.94 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.18 -61.27 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.7 t70 -35.14 -60.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.488 HD11 HD13 ' A' ' 48' ' ' LEU . 11.8 mm -54.21 -42.01 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' GLY . 32.2 t70 -56.25 -33.93 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.35 -36.55 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.55 -50.43 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.786 ' HB2' HD11 ' A' ' 66' ' ' ILE . 38.3 m-85 -97.65 28.38 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -60.81 -11.3 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.13 -12.44 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 71.9 mt -111.66 163.51 14.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 p -85.26 92.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 61' ' ' PHE . 39.8 mt -86.79 112.96 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -76.73 -43.67 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -172.66 155.7 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.04 150.92 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -122.92 109.76 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.6 HD23 ' CB ' ' A' ' 84' ' ' CYS . 29.2 mt -103.86 129.34 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 73' ' ' ARG . 65.2 t -101.28 159.08 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.531 ' N ' HG12 ' A' ' 72' ' ' VAL . 41.4 mtt85 -148.46 146.31 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.422 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 4.0 t70 -62.48 -175.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.85 -70.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -34.08 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.9 p -104.72 -22.73 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 49.82 26.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -100.49 152.35 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -54.33 117.61 3.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 74' ' ' ASP . 7.3 mmmm -59.66 -67.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.44 33.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -162.63 155.98 20.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.6 ' CB ' HD23 ' A' ' 71' ' ' LEU . 20.2 p -161.14 147.9 14.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -98.11 121.81 40.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.4 122.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -93.68 135.34 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -108.88 177.72 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.44 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -104.18 153.37 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.68 -31.99 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -61.17 -46.61 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 m -50.9 -56.21 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 43' ' ' ALA . 11.4 tp -59.0 -48.35 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -48.17 -41.27 26.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -72.01 -37.96 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -66.94 -18.48 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.62 -25.14 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 p -65.76 -14.38 61.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -79.55 2.07 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 14.7 p-10 -72.43 86.77 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.49 4.98 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 171.88 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.7 mt -119.18 128.92 54.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 tp -105.47 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.92 -115.07 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -99.29 18.53 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 49' ' ' PRO . 30.8 mtt180 -141.07 -176.35 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.6 p -110.67 177.75 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -124.24 138.95 54.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -125.06 100.76 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.9 127.63 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -152.23 158.15 42.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 46.5 mt -71.92 124.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' CD1' ' A' ' 114' ' ' ILE . 19.9 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.8 140.92 52.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 p -83.25 -37.04 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.32 155.18 75.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 37.1 Cg_endo -66.57 169.86 13.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.77 173.95 42.56 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.36 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.08 94.95 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -99.49 146.04 26.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -136.69 153.48 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -105.53 142.26 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -136.34 119.93 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.06 -175.28 17.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.89 54.61 8.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.8 mt -101.36 152.27 37.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.12 141.84 6.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -45.34 -46.36 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -109.81 79.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.2 m -105.32 144.09 32.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.0 m -136.55 154.62 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tt0 -36.44 -39.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.5 -45.91 93.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' VAL . 15.9 m-20 -52.87 -55.63 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.8 mm -54.76 -45.36 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -56.59 -34.44 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.08 59.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.42 -56.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 66' ' ' ILE . 61.3 m-85 -101.77 29.57 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -54.28 -24.47 19.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -27.73 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 93' ' ' SER . 51.3 mt -93.53 168.73 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 110.71 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 61' ' ' PHE . 65.5 mt -105.83 118.61 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -76.31 -44.99 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 t -174.67 150.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.89 138.09 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -105.17 112.87 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -102.35 133.27 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 73' ' ' ARG . 56.4 t -109.03 153.45 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 72' ' ' VAL . 49.5 mtp180 -141.46 174.38 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.08 176.79 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -105.4 -21.22 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -111.09 -68.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -24.99 67.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.2 t0 52.56 43.14 31.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -111.02 168.87 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -70.13 98.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -41.84 -59.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.14 25.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -155.98 147.73 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -158.14 160.09 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -111.77 134.96 52.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.36 135.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.73 143.38 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 47.8 m-85 -121.24 135.7 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -65.23 -62.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -100.1 173.0 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 92' ' ' ASP . 14.4 p -72.87 -49.08 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 91' ' ' VAL . 1.3 p30 -44.79 -40.65 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.581 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.1 m -53.82 -48.54 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.625 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.3 tp -68.33 -47.98 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.567 ' CD ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -49.68 -43.85 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.72 -37.94 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 114' ' ' ILE . 53.0 mt -74.12 -17.27 60.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.3 p -76.16 -7.94 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.419 ' HB2' HG21 ' A' ' 112' ' ' VAL . 50.5 m-85 -83.52 -1.61 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -76.61 66.28 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.24 32.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.0 128.51 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.65 128.54 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -100.42 90.32 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.47 -115.87 8.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -97.68 26.56 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -144.64 176.25 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -115.87 161.4 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -127.41 138.84 53.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -132.11 99.59 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 100' ' ' TYR . 19.3 t -110.04 135.09 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -154.52 152.18 29.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.7 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.6 mt -71.39 113.7 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.2 149.09 63.6 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.7 p -96.05 -33.73 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -149.78 152.21 34.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.79 169.62 15.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.0 Cg_endo -69.82 151.15 91.32 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.358 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 68.5 m-85 -90.71 107.21 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 m -103.74 141.26 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.14 148.52 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -107.84 128.03 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.45 116.12 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.97 -179.7 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.5 40.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 52' ' ' THR . 65.5 mt -95.59 152.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.73 165.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.09 -43.35 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.79 79.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.681 HG21 HD13 ' A' ' 48' ' ' LEU . 53.0 m -101.89 120.15 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.9 m -108.45 153.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' VAL . 17.1 tt0 -36.74 -49.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -44.71 -62.69 2.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.6 t70 -35.04 -54.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -57.23 -50.12 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.49 -37.12 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.06 53.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.99 -38.35 76.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -117.05 32.24 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -59.77 -48.87 79.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.43 -39.52 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 93' ' ' SER . 19.1 mt -85.15 177.96 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -109.51 108.68 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.33 117.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -73.72 -41.55 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -163.68 166.94 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.52 125.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -111.32 117.3 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 84' ' ' CYS . 69.1 mt -99.93 131.14 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -85.85 111.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -97.76 172.21 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.75 -178.36 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -107.25 -39.89 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.6 p -72.03 -27.69 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 63.54 34.36 12.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -109.2 160.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -46.73 124.09 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -68.61 -71.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.12 -23.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -130.55 147.37 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.468 ' CB ' HD23 ' A' ' 71' ' ' LEU . 27.5 p -143.68 166.65 24.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -113.99 127.74 56.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.65 137.01 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.17 128.06 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 61.3 m-85 -106.54 154.38 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -81.88 -47.88 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -118.99 157.68 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.531 HG22 ' HG3' ' A' ' 95' ' ' LYS . 10.7 p -60.9 -33.26 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' A' ' 93' ' ' SER . 0.6 OUTLIER -51.01 -54.04 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.664 ' HA ' HD22 ' A' ' 64' ' ' LEU . 19.0 m -48.34 -58.06 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.6 tp -57.22 -56.49 21.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' A' ' 91' ' ' VAL . 7.0 mtpt -45.99 -37.34 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.79 -39.56 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.48 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.24 -15.33 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -81.19 -8.96 59.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 112' ' ' VAL . 20.3 m-85 -76.65 -6.06 50.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -75.5 105.61 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.19 -17.16 7.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.29 155.7 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.4 137.05 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.744 HD22 HD21 ' A' ' 110' ' ' LEU . 18.7 tp -112.63 94.92 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.68 -116.14 7.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.96 14.39 30.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -142.67 175.85 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -100.26 178.82 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.744 HD21 HD22 ' A' ' 105' ' ' LEU . 52.1 mt -124.06 146.08 48.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 102.64 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.6 t -114.88 113.5 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.25 157.29 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.87 127.61 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.799 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.19 159.04 54.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.7 m -112.26 -38.23 4.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -127.52 139.59 35.65 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.9 Cg_endo -77.14 168.86 22.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.75 179.8 21.27 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.346 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 7.7 m-85 -119.88 127.04 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.8 m -118.58 125.15 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -109.37 142.1 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.6 133.82 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -133.25 130.61 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.93 -178.78 15.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 40.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HG21 ' A' ' 52' ' ' THR . 15.2 mt -97.03 156.34 36.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.39 164.24 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -58.05 -46.89 84.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 15.2 p-10 -106.31 74.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.488 HG21 HD13 ' A' ' 48' ' ' LEU . 32.1 m -96.51 122.53 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.16 167.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -45.98 -54.85 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.95 8.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -37.85 -50.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.0 -53.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -44.7 -32.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.33 -46.44 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.83 -54.1 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.53 31.83 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.7 -35.93 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.71 -41.08 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.6 mt -76.86 178.35 6.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -97.64 97.26 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 48.7 mt -91.05 122.33 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -91.83 -60.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 76.2 p -147.06 131.65 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.56 116.32 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -103.26 108.43 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 84' ' ' CYS . 25.5 mt -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.477 HG21 ' CE2' ' A' ' 83' ' ' PHE . 42.9 t -65.4 138.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -144.85 173.7 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -86.87 -177.98 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -107.71 -24.08 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.56 -68.26 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.3 p -70.16 -42.25 72.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 72.78 40.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -113.46 169.58 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.483 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 34.6 t80 -61.73 132.67 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -85.12 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.14 -32.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 72' ' ' VAL . 33.8 p90 -117.39 164.0 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.436 ' CB ' HD23 ' A' ' 71' ' ' LEU . 18.9 p -158.79 149.3 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -98.3 121.37 40.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.78 119.66 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -87.25 133.82 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 83.5 m-85 -111.89 173.36 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.09 -68.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -91.97 153.37 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.51 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -45.55 77.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.537 ' HA ' HD22 ' A' ' 64' ' ' LEU . 3.6 m -52.78 -59.78 4.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.608 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 8.8 tp -53.68 -56.92 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -47.67 -32.2 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -78.6 -48.76 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.34 -36.17 52.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.5 mt -52.51 -22.78 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.1 p -77.07 -35.39 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -52.38 -16.78 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.5 90.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.47 -18.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.0 175.07 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -111.45 132.38 54.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 tp -104.6 93.94 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.0 8.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.49 22.05 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -148.5 -178.93 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -103.93 176.73 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.7 mt -118.5 142.79 47.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -134.51 101.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.87 130.95 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -155.64 151.27 27.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.67 139.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.766 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.628 0.728 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 66.0 Cg_exo -46.85 132.54 17.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -67.86 -45.57 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -151.2 156.98 35.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.726 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.65 169.63 15.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.0 Cg_endo -69.72 145.74 80.17 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.361 -0.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 30.5 m-85 -92.88 106.67 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -121.59 138.1 54.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 3.3 t80 -99.37 139.32 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.23 127.07 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.77 -174.43 14.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.36 45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 mt -103.56 150.38 38.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.16 162.81 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.4 -39.59 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -110.39 73.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -97.05 129.21 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.1 m -117.83 150.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.3 tt0 -37.26 -49.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.62 -61.71 4.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.6 t70 -37.49 -58.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.57 -49.93 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -50.29 -31.3 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.46 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.77 -57.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -94.74 26.26 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.43 -34.85 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.17 -40.61 94.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 93' ' ' SER . 29.1 mt -84.25 167.37 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 m -85.5 108.51 17.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.2 125.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -89.29 -50.4 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -164.6 147.37 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -113.32 108.07 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.9 mt -96.84 148.46 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 ' HG3' ' A' ' 81' ' ' LYS . 58.4 t -104.58 142.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -134.62 153.26 52.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.72 178.65 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.82 -39.89 10.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.13 -70.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 p -66.2 -16.15 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 42.75 46.82 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -120.95 169.4 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 31.1 t80 -50.93 143.83 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.504 ' HG3' HG12 ' A' ' 72' ' ' VAL . 26.6 mmtt -94.3 -55.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 151.12 -15.54 0.88 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -132.77 145.67 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 p -144.28 166.01 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 85' ' ' TYR . 2.7 m-85 -120.84 127.41 51.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -101.98 139.06 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -102.01 135.97 42.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -120.64 157.99 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.97 -68.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -92.2 162.61 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 4.4 p -71.98 -26.48 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -56.36 -51.64 67.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.45 ' HA ' HD22 ' A' ' 64' ' ' LEU . 30.3 m -48.73 -59.07 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.83 HD13 ' HB2' ' A' ' 43' ' ' ALA . 16.2 tp -57.51 -58.1 9.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -40.86 -39.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -77.06 -48.81 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.94 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.85 -28.21 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.0 p -62.02 -16.21 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.22 -0.16 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -73.74 81.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.04 -4.11 2.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.83 168.15 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -114.06 133.54 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 110' ' ' LEU . 55.6 tp -109.9 95.15 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.99 -118.07 13.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.14 25.18 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -148.22 -179.34 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 t -111.28 170.1 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 105' ' ' LEU . 28.7 mt -116.96 139.56 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -128.77 99.67 5.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.75 127.78 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -152.07 162.95 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -76.34 128.79 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.794 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.86 153.52 68.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 p -100.97 -14.95 17.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -165.05 156.32 12.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.9 Cg_endo -67.73 169.62 15.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.71 162.16 84.56 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.327 -0.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.94 99.22 8.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -112.03 139.01 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -124.31 140.8 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.38 129.23 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 112' ' ' VAL . 62.0 t -125.73 110.98 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.89 -172.48 17.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.548 ' ND2' ' NH2' ' A' ' 108' ' ' ARG . 0.3 OUTLIER 61.59 49.98 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 mt -111.39 155.65 42.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.21 156.09 4.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -63.08 -27.19 69.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.28 67.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -100.24 117.25 34.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLN . 11.5 m -109.42 153.6 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' VAL . 31.4 tt0 -34.85 -64.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -38.52 -57.96 1.79 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.424 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -35.81 -64.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.5 mm -52.13 -50.25 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -48.3 -34.71 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 -38.98 49.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 57' ' ' ILE . 45.5 mt -56.8 -43.67 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.47 34.12 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -58.58 -23.3 58.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.43 -41.94 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 93' ' ' SER . 27.2 mt -85.47 176.16 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -98.67 117.71 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.1 mt -103.33 115.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -74.91 -51.42 13.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 m -158.62 143.8 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.62 131.36 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -118.59 107.64 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.8 mt -88.1 107.29 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.862 HG23 ' HA ' ' A' ' 84' ' ' CYS . 19.5 t -60.95 135.02 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -148.55 -179.17 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.88 -178.86 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -87.86 -58.78 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.51 -64.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 60.7 p -65.56 -31.22 72.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 77' ' ' THR . 5.9 p-10 45.46 46.96 10.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -105.03 143.29 33.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -44.24 103.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HD3' HG12 ' A' ' 72' ' ' VAL . 18.3 mtpt -62.09 -39.18 91.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 -34.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 72' ' ' VAL . 31.4 p90 -114.98 166.18 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.862 ' HA ' HG23 ' A' ' 72' ' ' VAL . 6.7 p -158.66 162.17 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -112.38 126.21 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 88' ' ' PHE . 20.9 t -102.71 138.61 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -111.27 127.49 55.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 51.0 m-85 -107.13 170.83 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -84.08 -53.13 5.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.27 170.67 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.97 -23.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.71 -62.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.558 ' HA ' HD22 ' A' ' 64' ' ' LEU . 13.7 m -43.61 -60.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.4 tp -49.15 -48.29 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -52.59 -39.74 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -80.28 -29.67 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.83 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.59 -25.75 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -4.49 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -90.27 0.53 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -77.64 47.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.17 -32.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.83 159.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.02 128.5 53.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.85 HD22 HD21 ' A' ' 110' ' ' LEU . 39.4 tp -107.42 103.23 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.69 -118.51 14.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -98.59 21.25 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.548 ' NH2' ' ND2' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -147.16 -178.78 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.7 m -110.59 174.95 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.85 HD21 HD22 ' A' ' 105' ' ' LEU . 67.3 mt -120.99 141.61 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -127.71 103.48 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 2.7 t -116.64 133.8 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.24 163.59 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.2 140.27 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 21.5 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.45 145.22 64.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -108.69 34.0 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.55 139.01 0.79 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.0 Cg_endo -79.9 168.73 18.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.74 -179.88 20.38 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.313 -0.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 91' ' ' VAL . 98.1 m-85 -111.6 110.64 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 m -109.34 145.68 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.801 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -137.59 135.01 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -92.09 136.75 32.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.5 121.09 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.54 -175.92 14.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 42.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 57' ' ' ILE . 27.8 mt -104.19 152.67 39.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.723 . . . . 0.0 110.962 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -46.33 153.38 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -54.85 -45.15 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -104.86 74.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.4 m -106.93 133.79 51.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 m -119.32 167.53 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.76 -50.05 18.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.87 -58.51 4.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -41.66 -58.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 48' ' ' LEU . 26.8 mm -55.56 -52.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 t70 -47.35 -34.03 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 -43.02 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.94 -45.77 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 66' ' ' ILE . 36.4 m-85 -109.44 33.58 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 63' ' ' ASP . 21.0 pttm -58.63 -51.41 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 21.2 m-20 -49.83 -38.4 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 61' ' ' PHE . 76.7 mt -75.39 172.84 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -100.26 85.14 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 61' ' ' PHE . 58.1 mt -72.6 104.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -44.65 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -169.54 145.28 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.52 132.11 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -115.38 107.09 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 84' ' ' CYS . 14.4 mt -96.49 110.68 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.19 144.3 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -142.73 145.69 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.37 174.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -105.58 -0.34 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.68 -64.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 p -86.68 -25.18 24.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.73 42.97 10.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -113.05 168.7 9.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.12 114.78 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -66.59 -31.89 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.06 12.14 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.32 142.0 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.629 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.4 p -145.82 169.63 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -115.87 135.18 54.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.99 133.29 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.89 138.26 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -120.03 140.11 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.03 -68.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -109.47 172.91 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 41' ' ' TYR . 9.8 p -67.31 -33.68 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -46.4 -60.19 2.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -53.81 -61.08 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.801 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 9.6 tp -42.88 -49.01 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 98' ' ' LEU . 13.3 ttpp -59.16 -51.74 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.55 -23.64 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.74 -28.57 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 55.4 mt -66.43 -8.79 28.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.9 p -86.43 -16.04 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.76 -13.56 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 11.0 p-10 -58.35 90.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.93 -7.01 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.4 162.34 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -110.69 131.97 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.45 99.72 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.26 -114.42 6.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.85 24.66 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -149.27 179.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 m -108.16 -179.36 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 mt -123.6 144.24 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.98 100.66 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.52 131.15 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.45 154.84 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -72.27 116.43 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 98' ' ' LEU . 45.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 54.2 Cg_exo -49.21 147.06 12.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -102.27 -26.42 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 6.5 tp10 -145.83 140.48 15.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.7 Cg_endo -72.58 169.06 22.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.78 178.82 24.18 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.331 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 47.7 m-85 -120.79 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' GLU . 4.4 m -110.24 133.58 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.912 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -114.92 145.84 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -106.47 120.48 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.01 112.7 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.57 -172.46 17.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.04 41.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' A' ' 80' ' ' PHE . 25.6 mt -104.52 153.29 39.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.5 157.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 51' ' ' ASN . 16.5 p90 -51.43 -41.96 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 7.5 t-20 -116.99 80.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.1 m -106.31 139.71 40.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.47 156.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -21.78 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.66 -61.13 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.61 -58.24 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 86' ' ' VAL . 49.3 mm -51.38 -41.22 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.03 -42.86 77.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.46 -45.98 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 57' ' ' ILE . 57.4 mt -51.08 -41.8 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -106.56 26.33 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -55.68 -26.3 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.39 -38.19 71.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.578 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 70.5 mt -84.82 157.65 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.6 m -83.87 87.65 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.03 141.09 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -98.38 -49.25 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.3 p -168.32 156.21 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.75 129.71 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -120.28 112.32 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.681 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.5 mt -99.63 119.97 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.7 t -81.93 139.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -135.28 153.1 52.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.76 -177.22 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -109.12 -26.2 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -80.4 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -93.5 -16.7 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.4 t0 49.07 45.05 23.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -116.72 152.18 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 39.0 t80 -44.4 121.79 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -69.83 -38.46 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.552 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 134.82 -9.04 4.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -136.47 152.1 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.681 ' CB ' HD23 ' A' ' 71' ' ' LEU . 30.2 p -142.37 158.59 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -106.48 114.41 28.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 57' ' ' ILE . 66.0 t -102.76 127.6 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 42' ' ' THR . 15.4 mt-10 -99.63 156.96 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -133.58 155.38 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.55 -70.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -95.44 166.8 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 92' ' ' ASP . 7.6 p -70.32 -49.01 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.557 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.2 t70 -38.7 -50.9 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -45.25 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.912 HD13 ' HB2' ' A' ' 43' ' ' ALA . 10.3 tp -61.0 -52.5 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HA ' HD12 ' A' ' 98' ' ' LEU . 19.5 ttmt -39.47 -34.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.3 -48.7 10.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.578 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -52.39 -23.67 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.703 ' CD1' HD21 ' A' ' 35' ' ' LEU . 81.8 mt -60.68 -26.83 67.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASP . 35.6 p -66.56 -38.46 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -42.93 -23.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 13.5 p-10 -60.01 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.56 -9.96 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.28 166.27 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 104' ' ' LEU . 9.5 mt -105.85 133.37 50.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -109.89 94.22 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.47 -118.12 12.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -97.36 21.7 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -145.51 -177.21 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -108.28 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.0 mt -114.74 137.59 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -134.51 102.17 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 t -119.93 135.32 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.07 164.39 38.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.2 mt -77.05 117.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.846 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 98' ' ' LEU . 27.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.581 0.705 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.96 135.11 31.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -82.0 -25.73 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.24 161.44 29.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.3 Cg_exo -59.66 166.87 7.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.1 Cg_endo -69.73 153.13 92.79 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.367 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 21.2 m-85 -108.02 86.21 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -103.97 144.94 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -127.05 153.88 45.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 115' ' ' ALA . 30.7 t80 -109.41 116.55 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.46 108.36 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.98 -178.38 19.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.52 45.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 57' ' ' ILE . 14.0 mt -111.74 144.06 29.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.81 164.72 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -71.11 -41.75 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -82.1 49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -107.82 136.07 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' GLN . 23.2 m -135.7 163.92 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.0 tt0 -37.17 -45.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.89 -62.81 5.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLY . 5.0 m-20 -35.55 -49.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 48' ' ' LEU . 23.2 mm -58.68 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 8.3 t70 -41.69 -30.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.48 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.71 -37.64 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -109.9 29.51 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -61.97 -14.58 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -3.16 59.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.3 mt -122.05 143.65 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -71.15 101.5 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 15.2 mt -90.68 133.85 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -94.45 -40.46 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 t -174.36 148.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.82 138.13 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -114.68 104.1 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 84' ' ' CYS . 95.8 mt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.55 144.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -137.54 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.52 179.65 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -111.81 -29.46 7.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.1 -67.46 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -84.54 -28.06 26.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 69.79 47.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -120.52 157.49 29.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -55.16 129.96 40.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -80.42 -41.69 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.44 24.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 4.9 p90 -162.48 143.97 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.565 ' CB ' HD23 ' A' ' 71' ' ' LEU . 29.7 p -154.09 163.54 39.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -105.59 134.11 49.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.2 t -111.15 122.37 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -91.43 114.57 27.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 64.1 m-85 -88.11 172.89 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.58 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -105.78 151.78 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 8.8 p -53.11 -22.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.83 -45.96 76.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 69.0 m -55.88 -44.02 77.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.5 tp -68.76 -43.37 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -50.83 -43.97 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -71.54 -44.8 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.93 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 35' ' ' LEU . 42.4 mt -68.75 -14.72 63.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 p -83.7 -12.87 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 112' ' ' VAL . 29.1 m-85 -75.18 -5.87 46.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.56 95.02 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.17 -11.11 4.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.03 166.32 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.56 132.98 53.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 110' ' ' LEU . 12.3 tp -109.55 98.73 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.25 -118.28 10.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -98.54 17.98 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.313 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -142.16 -176.11 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.7 m -108.08 175.67 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 105' ' ' LEU . 80.8 mt -119.63 143.02 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 99.61 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 100' ' ' TYR . 4.5 t -114.5 107.87 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -131.3 157.74 42.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.43 140.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.596 0.712 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.37 146.17 67.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -102.79 -25.34 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 7.9 tp10 -132.39 140.28 37.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 50.4 Cg_endo -72.64 168.98 23.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.75 -179.16 18.4 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.32 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 31.9 m-85 -124.28 109.35 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -110.76 145.29 38.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.943 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.1 151.45 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.9 t80 -101.01 132.44 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.23 125.78 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.43 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.83 38.1 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 52' ' ' THR . 67.7 mt -93.65 154.66 41.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.712 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.11 155.26 1.02 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -50.94 -38.52 50.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -118.04 76.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.612 HG21 HD13 ' A' ' 48' ' ' LEU . 23.0 m -98.93 98.97 9.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.5 m -89.41 157.57 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.2 tp60 -35.86 -49.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.06 -61.14 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.554 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -34.89 -64.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -47.1 -52.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.38 -45.97 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.84 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.0 mt -51.21 -54.9 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.0 m-85 -105.46 33.8 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 14.5 pttp -57.3 -44.29 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 18.7 m-20 -57.98 -40.24 80.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 93' ' ' SER . 37.4 mt -76.53 174.46 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -97.75 100.76 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 61' ' ' PHE . 72.4 mt -90.81 108.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.86 -50.57 64.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -166.94 155.89 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' CD ' ' A' ' 54' ' ' GLN . 98.3 t -121.48 133.91 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -123.12 108.89 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 84' ' ' CYS . 37.7 mt -93.58 148.86 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.39 142.54 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 73' ' ' ARG . 26.3 mtm105 -135.14 166.14 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.57 162.59 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -95.35 -1.6 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.2 -39.5 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.418 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 62.8 p -106.93 -38.02 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 77' ' ' THR . 0.5 OUTLIER 69.55 38.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -119.49 146.33 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.563 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 32.2 t80 -42.78 123.53 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -74.96 -37.02 62.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.39 8.77 3.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -153.54 141.54 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.55 ' HB3' HD23 ' A' ' 71' ' ' LEU . 30.0 p -147.63 172.96 13.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.16 125.27 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -110.37 123.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -92.98 152.88 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 95.9 m-85 -130.3 157.75 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.47 -66.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -105.96 174.23 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 92' ' ' ASP . 10.9 p -67.25 -43.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 91' ' ' VAL . 39.9 t0 -40.23 -59.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.528 ' HA ' HD22 ' A' ' 64' ' ' LEU . 58.4 m -42.32 -44.19 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.943 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.5 tp -71.94 -58.3 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.5 tttt -43.01 -30.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -85.47 -41.81 15.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.43 -15.31 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 95' ' ' LYS . 73.7 mt -72.91 -35.11 67.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.3 p -66.07 -9.7 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -85.21 1.89 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 3.5 p-10 -81.76 48.36 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.54 -39.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.1 174.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -113.99 129.59 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.5 tp -106.08 97.18 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.61 -113.4 5.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.81 24.05 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -151.54 -175.68 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -113.88 167.78 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.59 140.25 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -132.17 100.42 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.6 111.26 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -122.31 154.88 37.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 64.3 mt -66.9 117.79 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.745 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.62 0.724 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -48.07 132.14 22.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.2 m -86.24 -40.71 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -134.79 153.18 78.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.8 Cg_endo -75.55 168.87 23.55 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.76 -179.03 18.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.376 -0.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -121.02 103.48 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 m -103.29 144.83 30.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -129.24 145.45 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 4.8 t80 -99.05 136.04 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -134.67 114.68 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.44 178.23 16.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.07 43.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.52 143.06 27.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.21 164.75 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.28 -34.57 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -89.41 48.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 m -109.55 121.11 44.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.35 168.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.421 ' N ' HD11 ' A' ' 71' ' ' LEU . 25.0 tt0 -43.16 -59.63 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -42.91 -62.67 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.4 t70 -36.07 -52.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 60' ' ' ILE . 40.0 mm -62.32 -45.29 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HA ' HD13 ' A' ' 66' ' ' ILE . 6.7 t70 -51.78 -30.17 21.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.88 -47.24 15.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 57' ' ' ILE . 81.9 mt -49.66 -47.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.47 ' HD1' HD12 ' A' ' 64' ' ' LEU . 98.3 m-85 -105.19 34.62 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -60.26 -32.43 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.51 -41.98 92.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' HD1' ' A' ' 61' ' ' PHE . 45.4 mt -81.08 163.19 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.3 p -82.8 101.57 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 58' ' ' ASP . 57.2 mt -90.21 114.25 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -78.39 -64.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -149.57 136.88 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.4 t -106.85 117.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -103.14 122.28 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD23 ' CB ' ' A' ' 84' ' ' CYS . 51.1 mt -105.41 108.96 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 73' ' ' ARG . 96.3 t -52.56 154.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 72' ' ' VAL . 10.4 ttm-85 -155.7 143.91 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CB ' ' OG1' ' A' ' 77' ' ' THR . 4.6 m-20 -58.22 168.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -90.04 -26.51 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.69 -53.31 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 74' ' ' ASP . 58.6 p -71.38 -19.1 62.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' C ' ' HG2' ' A' ' 73' ' ' ARG . 5.5 p-10 37.44 52.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -125.55 150.63 47.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -51.76 113.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -56.37 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.05 -25.41 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -120.06 170.95 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.516 ' CB ' HD23 ' A' ' 71' ' ' LEU . 15.7 p -159.74 158.93 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 96.1 m-85 -107.76 121.32 44.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.18 123.44 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -93.39 145.26 24.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 88.0 m-85 -119.22 157.22 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.57 -58.65 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -105.36 168.55 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.95 -32.87 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' SER . 2.9 t0 -54.43 -62.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.558 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 22.8 m -37.77 -53.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 43' ' ' ALA . 15.3 tp -60.42 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 98' ' ' LEU . 8.1 mtpm? -45.63 -45.91 14.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.06 -47.55 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.78 -28.1 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' LYS . 87.0 mt -59.38 -25.15 64.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 101' ' ' ASP . 21.3 p -74.76 -40.14 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -45.81 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.9 p-10 -58.38 92.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -14.18 3.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.33 166.11 17.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.01 133.56 53.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -102.78 90.02 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.82 -111.31 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -99.16 12.58 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -136.59 -177.69 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -113.92 167.43 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.2 mt -114.51 140.36 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -134.48 99.16 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.69 136.77 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.63 158.39 44.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.79 111.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.778 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.72 HD13 ' CG2' ' A' ' 91' ' ' VAL . 39.5 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.33 117.29 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 p -45.73 -38.95 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -146.51 155.27 49.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.58 169.7 15.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.68 159.77 88.88 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.75 83.89 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 43' ' ' ALA . 98.3 m -95.53 153.07 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.804 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.47 151.91 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -101.82 128.18 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.35 110.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.61 -174.02 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.19 48.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 57' ' ' ILE . 16.8 mt -123.18 142.7 39.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -49.03 159.16 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -71.01 -6.38 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -96.36 8.71 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.408 HG21 HD13 ' A' ' 48' ' ' LEU . 54.1 m -86.6 121.68 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.11 170.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.619 ' N ' HD11 ' A' ' 71' ' ' LEU . 13.4 tt0 -41.16 -51.19 3.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.5 -44.12 45.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.92 -63.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD13 ' A' ' 48' ' ' LEU . 43.9 mm -44.77 -47.08 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.11 -40.81 90.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -65.9 -39.95 91.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.7 mt -58.36 -58.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.408 ' C ' HD11 ' A' ' 66' ' ' ILE . 27.4 m-85 -94.49 27.69 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 59' ' ' ALA . 18.6 ptmt -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.33 -37.51 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.52 -175.31 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -102.82 107.48 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 61' ' ' PHE . 11.6 mt -103.01 104.81 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -64.1 -49.58 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -163.41 157.53 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.52 131.35 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtm-85 -111.89 105.8 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 54' ' ' GLN . 41.9 mt -90.07 134.56 34.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.434 HG12 ' HG3' ' A' ' 81' ' ' LYS . 95.2 t -99.91 126.89 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.35 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.6 -175.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -107.49 -44.97 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.19 -52.6 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.5 p -88.7 -32.58 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 64.46 36.31 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -100.3 152.06 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.02 114.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.0 mmtt -59.74 -48.28 82.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -121.36 148.93 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 10.4 p -147.25 177.7 8.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.28 126.36 43.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.3 t -105.87 134.62 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -97.75 145.98 25.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -126.0 132.03 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.36 -53.27 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -112.63 150.33 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.72 ' CG2' HD13 ' A' ' 35' ' ' LEU . 14.4 p -58.66 -37.34 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -43.87 -63.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m -43.36 -61.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.5 tp -47.02 -60.97 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.3 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.53 -36.21 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -15.13 62.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 112' ' ' VAL . 67.4 mt -78.69 -24.28 45.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.8 p -59.23 -21.81 60.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.486 ' HB2' HG21 ' A' ' 112' ' ' VAL . 6.0 m-85 -68.99 -2.23 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.3 p-10 -71.01 98.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.32 -3.31 11.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 165.34 15.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.92 134.37 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.41 HD22 HD21 ' A' ' 110' ' ' LEU . 26.6 tp -108.38 93.24 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.74 -114.56 6.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.528 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -100.03 20.95 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -145.19 -177.74 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -110.67 171.99 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.41 HD21 HD22 ' A' ' 105' ' ' LEU . 50.2 mt -117.69 143.5 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 101.96 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 100' ' ' TYR . 3.6 t -116.34 130.96 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.71 163.21 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 85.4 mt -84.68 118.91 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 98' ' ' LEU . 26.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.605 0.716 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.9 123.24 9.55 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 37' ' ' THR . 17.3 m -99.8 38.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -175.13 140.98 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.675 0.75 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.4 Cg_endo -80.04 168.83 18.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.392 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -104.39 106.43 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -108.45 142.99 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.99 154.44 44.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.4 t80 -113.04 136.91 52.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.87 124.83 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.86 -177.2 14.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.32 48.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.73 144.0 31.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -48.48 155.65 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' A' ' 51' ' ' ASN . 38.3 p90 -70.57 -4.35 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 68.8 m-20 -120.7 39.31 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.8 m -96.11 131.14 42.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.66 168.52 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -46.18 -47.1 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.82 -64.89 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.38 -57.86 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 46.0 mm -50.37 -61.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -41.36 -43.81 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.73 62.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.3 mt -48.55 -53.82 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.963 ' HB2' HD11 ' A' ' 66' ' ' ILE . 31.2 m-85 -101.04 30.07 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -55.04 -51.15 67.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.66 -40.03 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.58 160.88 29.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -91.2 82.21 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 61' ' ' PHE . 90.3 mt -72.39 112.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -63.66 -46.51 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -173.92 140.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.81 124.77 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -107.89 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' CB ' ' A' ' 84' ' ' CYS . 32.4 mt -103.7 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG12 ' HG3' ' A' ' 81' ' ' LYS . 24.0 t -76.7 144.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -140.78 150.33 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.75 172.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -95.86 -38.45 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.25 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.7 p -60.6 -20.73 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.77 35.16 11.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -101.37 167.48 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.43 137.35 53.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.665 ' HG3' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.0 -68.15 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.78 -24.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.52 149.07 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.504 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.9 p -143.01 156.37 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -111.98 127.97 56.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 66' ' ' ILE . 84.9 t -107.53 119.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -88.47 160.31 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 92.8 m-85 -141.5 176.7 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.66 -49.57 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -110.88 175.44 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 3.9 p -80.2 -42.21 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 3.4 p30 -44.14 -42.53 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.476 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 62.1 m -58.26 -60.89 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.8 tp -53.34 -48.09 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -54.28 -48.91 70.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.82 -26.95 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.62 -30.54 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -66.01 -11.11 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -79.8 -31.07 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.89 -16.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.39 95.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.89 -14.21 4.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.45 164.73 20.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.87 90.11 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.85 -110.89 3.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -99.83 5.78 45.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -130.44 -176.89 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 p -114.66 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.98 140.6 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -128.33 99.66 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.61 118.36 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -139.12 165.73 26.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -66.64 126.13 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.4 m -64.99 170.24 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.5 p -143.35 148.28 36.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.2 -141.48 9.34 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.5 p -128.93 126.85 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.1 m -100.71 139.87 35.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.2 -89.59 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.08 152.84 44.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.76 0.314 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -119.87 93.26 4.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 114' ' ' ILE . 39.6 mt -43.37 150.59 0.49 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.598 0.713 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -48.09 157.04 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.373 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 54.3 m -94.2 -34.48 12.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -148.01 156.6 43.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.653 0.739 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.497 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.7 169.6 15.67 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.379 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.72 156.98 92.42 Favored 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.352 -0.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.51 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 76.5 m-85 -98.72 84.84 3.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -77.61 141.92 39.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.103 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.563 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -135.23 144.72 47.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -103.01 131.57 49.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -130.88 109.39 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.11 -176.76 19.99 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 66.26 40.7 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.0 mt -108.42 144.19 28.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.6 0.714 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -48.61 159.99 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -67.61 -44.0 79.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -85.02 54.61 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.661 ' CG2' HD11 ' A' ' 57' ' ' ILE . 96.9 m -109.49 127.9 54.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' GLN . 29.8 m -131.77 162.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' VAL . 23.9 mt-30 -35.86 -40.1 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -54.7 -61.15 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.64 -53.02 43.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.661 HD11 ' CG2' ' A' ' 52' ' ' THR . 13.6 mm -52.62 -49.48 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.94 -48.82 60.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.99 76.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -50.16 -56.53 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' HB2' HD11 ' A' ' 66' ' ' ILE . 65.7 m-85 -100.94 33.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 22.9 pttm -58.88 -53.43 58.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 2.4 m-20 -45.36 -32.0 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 93' ' ' SER . 43.0 mt -87.66 -179.29 6.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 m -112.52 106.47 14.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.531 HD11 ' HB2' ' A' ' 61' ' ' PHE . 53.7 mt -95.52 115.94 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -73.2 -50.84 20.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.6 t -150.33 161.99 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.8 t -136.69 141.96 39.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -126.63 115.81 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 84' ' ' CYS . 50.9 mt -102.57 153.4 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG21 ' CE1' ' A' ' 83' ' ' PHE . 91.0 t -104.78 148.61 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -152.39 144.44 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.08 167.94 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.53 -31.44 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -85.36 -70.35 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.7 p -62.32 -46.86 86.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.9 t70 74.1 40.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.818 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -130.47 149.69 52.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -39.25 127.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -78.67 -42.09 29.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 142.63 -12.42 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.782 ' CE1' HG21 ' A' ' 72' ' ' VAL . 37.1 p90 -126.97 145.2 50.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.474 ' HB2' HD23 ' A' ' 71' ' ' LEU . 28.2 p -150.05 159.03 44.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -111.87 125.38 53.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.29 138.09 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -105.59 144.0 32.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 98.8 m-85 -124.41 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -60.78 -71.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -101.49 172.18 7.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 4.9 p -67.81 -35.19 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.09 -56.87 5.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.468 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 2.2 m -50.84 -52.94 36.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 43' ' ' ALA . 21.6 tp -55.31 -55.58 29.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -49.47 -48.28 47.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -61.87 -34.83 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.77 -19.69 58.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.55 -13.52 60.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -80.79 5.46 15.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.507 ' HB2' HG21 ' A' ' 112' ' ' VAL . 31.3 m-85 -97.12 0.91 49.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -74.58 81.81 2.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.92 -13.38 1.71 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.46 170.95 15.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -117.77 133.71 55.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.1 tp -107.54 94.96 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.56 -114.48 6.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.476 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -98.59 22.09 10.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -147.41 178.45 8.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.7 m -110.17 172.68 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -117.13 146.86 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.33 100.84 4.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.507 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.7 t -114.88 123.62 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -147.33 155.49 42.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -71.78 115.36 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.86 73.61 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -54.81 164.64 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -163.1 153.14 23.55 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.525 ' NE ' ' N ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -50.26 166.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.856 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -118.58 112.24 19.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -108.76 118.84 37.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -148.09 174.16 12.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -62.83 158.96 17.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 p -88.0 -3.45 58.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -171.36 86.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.92 93.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.325 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 127' ' ' SER . 49.4 m -84.51 -48.39 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 126' ' ' SER . 9.4 m -36.54 118.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 m -154.51 145.44 22.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.8 m -138.78 111.13 7.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.0 -162.46 9.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 p -131.31 133.86 45.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 p -138.94 125.75 20.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.88 120.54 3.16 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -45.24 169.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.02 157.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.7 mt -135.23 153.82 78.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.651 0.738 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -47.15 131.24 17.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.1 t -82.64 -31.43 28.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -145.79 149.26 39.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.506 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.4 Cg_endo -67.72 169.65 15.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.64 2.227 . . . . 0.0 112.357 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 177.91 27.16 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.331 -0.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 50.3 m-85 -119.44 116.29 25.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.3 m -106.95 140.23 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.669 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.6 147.46 50.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.431 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.9 t80 -106.42 126.49 52.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.0 t -129.93 110.14 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.83 -175.06 15.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.1 51.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 57' ' ' ILE . 17.7 mt -116.85 144.09 32.75 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.641 0.734 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.89 166.05 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -72.74 -20.48 61.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -101.72 44.28 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.3 m -110.0 135.17 51.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.28 175.69 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -46.36 -55.18 7.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -47.52 -53.49 12.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -47.99 -58.2 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.751 HD11 HD13 ' A' ' 48' ' ' LEU . 18.1 mm -56.93 -56.4 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -47.09 -36.86 8.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.8 -46.0 76.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.93 -41.26 76.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.716 ' HB2' HD11 ' A' ' 66' ' ' ILE . 57.5 m-85 -103.11 31.91 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.43 -8.43 18.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -90.01 -31.68 17.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 14.7 mt -95.57 166.88 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 m -87.28 119.49 27.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 61' ' ' PHE . 86.4 mt -113.92 107.09 22.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -64.37 -46.47 83.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 t -171.34 152.89 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.9 t -120.8 138.32 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -118.6 103.51 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.683 HD23 ' CB ' ' A' ' 84' ' ' CYS . 41.2 mt -88.85 123.87 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.405 HG21 ' HE1' ' A' ' 83' ' ' PHE . 67.4 t -80.64 127.04 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.6 mtt85 -135.56 160.15 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.59 -178.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -110.03 -27.22 9.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.53 -65.03 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.2 p -69.97 -31.1 68.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.93 45.94 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -122.65 169.1 11.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 19.9 t80 -56.6 143.79 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -97.43 -49.57 4.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 140.97 -23.33 2.61 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.405 ' HE1' HG21 ' A' ' 72' ' ' VAL . 39.1 p90 -123.32 140.69 52.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' A' ' 71' ' ' LEU . 11.7 p -145.47 163.11 35.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -119.35 128.65 54.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.5 t -102.21 145.94 11.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -107.53 134.07 51.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -116.09 153.72 31.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -79.02 -66.97 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.455 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 13.2 p -80.41 -35.45 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.41 -48.95 62.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 m -52.58 -59.96 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.8 tp -51.43 -57.81 7.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.642 ' HA ' HD12 ' A' ' 98' ' ' LEU . 17.3 tttp -47.22 -37.56 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -76.02 -37.93 57.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -68.4 -16.52 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 95' ' ' LYS . 85.2 mt -72.24 -27.76 62.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -60.32 -18.12 47.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -69.32 -5.55 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 -69.51 77.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.32 -9.35 1.7 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.8 159.71 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.8 mt -104.34 140.43 37.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.648 HD22 HD21 ' A' ' 110' ' ' LEU . 41.7 tp -111.88 89.95 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.24 -114.88 7.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.28 16.91 20.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.4 mmp_? -141.01 179.53 6.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -110.54 168.0 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.648 HD21 HD22 ' A' ' 105' ' ' LEU . 73.3 mt -116.87 145.46 43.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -134.06 99.26 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.97 132.89 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -153.7 156.71 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.51 127.18 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.71 92.72 3.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -65.06 145.38 56.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -91.62 -98.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -144.76 113.02 6.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -47.97 121.97 4.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -102.1 133.89 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -37.8 144.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.04 160.29 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.2 t -85.36 -61.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.98 158.11 30.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.58 146.48 26.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 82.7 p -120.39 160.86 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.0 m -89.02 93.03 9.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.0 p -128.95 130.49 46.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -68.41 138.19 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.97 -139.23 9.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.1 m -82.98 98.34 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.4 p -38.57 -33.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.57 77.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -49.08 166.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.303 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' HD13 ' A' ' 114' ' ' ILE . 14.3 pt-20 -82.86 132.79 35.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD11 ' HE2' ' A' ' 95' ' ' LYS . 91.6 mt -120.79 154.81 57.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.571 0.7 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -70.06 126.19 12.83 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.3 p -69.84 -40.96 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -141.5 161.1 54.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.68 169.61 15.61 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.76 175.02 38.2 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.385 -0.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -122.26 94.01 4.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.2 m -95.33 129.17 42.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.615 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -120.61 145.58 47.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -104.06 130.87 51.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.83 123.01 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.23 -174.58 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.18 41.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD13 HG21 ' A' ' 52' ' ' THR . 77.9 mt -102.41 150.95 38.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -47.61 146.94 7.21 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.347 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -43.88 -45.38 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.39 77.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.457 HG21 HD13 ' A' ' 48' ' ' LEU . 59.2 m -101.12 125.8 47.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.87 154.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -40.92 -42.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.01 38.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -49.16 -62.69 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 60' ' ' ILE . 48.0 mm -50.29 -51.31 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 0.4 OUTLIER -49.11 -39.31 27.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.56 -42.08 71.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 57' ' ' ILE . 46.4 mt -58.45 -57.96 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -96.74 27.94 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -32.43 66.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -35.96 82.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.66 179.41 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 m -99.18 88.48 3.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 44.4 mt -77.7 126.58 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -90.83 -49.53 6.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -162.26 149.56 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.9 t -120.62 104.45 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.128 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -85.88 116.26 24.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 84' ' ' CYS . 69.9 mt -101.68 118.76 37.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG12 ' HG3' ' A' ' 81' ' ' LYS . 41.1 t -81.9 126.19 39.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -133.3 142.66 48.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -53.39 177.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -110.39 -23.31 11.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -90.87 -48.44 7.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.4 p -91.29 -33.61 15.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.3 t70 63.61 45.2 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -120.07 148.9 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.445 ' CZ ' ' C ' ' A' ' 82' ' ' GLY . 41.4 t80 -48.96 104.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.9 mmtt -46.63 -46.86 20.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 145.94 -29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -116.12 172.6 7.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.818 ' HB3' HD23 ' A' ' 71' ' ' LEU . 28.2 p -161.61 152.49 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -102.58 122.86 45.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.963 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.1 t -104.98 122.61 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -92.43 138.8 31.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -116.25 163.77 15.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -82.97 -65.73 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -101.13 175.27 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.9 p -74.73 -33.15 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.38 -46.69 73.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 m -55.96 -56.23 23.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.615 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.9 tp -51.26 -61.2 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.619 ' HA ' HD12 ' A' ' 98' ' ' LEU . 37.5 tttm -46.98 -52.81 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -34.22 34.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.23 -21.09 39.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 95' ' ' LYS . 49.8 mt -72.51 -12.82 61.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 73.6 p -86.5 -26.32 24.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -59.78 -17.25 34.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.57 101.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.72 -17.89 3.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.27 172.76 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.767 0.318 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 104' ' ' LEU . 12.7 mt -111.65 131.25 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.431 HD22 HD21 ' A' ' 110' ' ' LEU . 28.2 tp -100.78 90.67 4.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.28 -113.68 5.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.97 12.17 37.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -136.03 -179.52 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -107.58 163.43 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.431 HD21 HD22 ' A' ' 105' ' ' LEU . 49.8 mt -108.79 140.89 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -134.62 99.59 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.4 t -113.05 122.46 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -135.96 150.91 49.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' ' 34' ' ' GLU . 39.9 mt -67.91 129.32 32.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.72 72.28 10.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.096 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -96.03 119.13 33.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -162.88 134.83 3.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.5 ttm-85 -68.71 132.01 46.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -89.48 -49.68 6.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -162.61 146.48 11.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -73.36 132.9 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 119.19 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.8 t -119.0 116.64 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -128.98 146.66 17.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.23 140.35 22.13 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.6 t -148.54 123.17 9.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.7 t -142.96 124.0 14.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -92.01 140.85 29.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.2 p -55.77 -51.69 66.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.15 105.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.8 t -121.74 -55.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.838 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.1 t -108.53 125.24 51.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.91 107.49 2.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.78 144.45 28.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -129.07 125.97 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 42.6 mt -100.45 155.61 36.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.616 0.722 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -45.14 133.35 11.53 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.396 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.1 p -78.69 -29.35 45.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -149.28 152.54 36.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 39.3 Cg_endo -68.08 169.55 16.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.83 175.59 36.19 Favored 'Cis proline' 0 C--O 1.232 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.36 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 30.0 m-85 -123.11 111.09 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.4 m -109.71 147.02 33.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.72 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -125.7 148.4 49.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 1.6 t80 -99.48 129.53 45.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.4 t -132.13 109.54 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.11 -179.66 17.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.91 51.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt -111.52 144.09 29.85 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.586 0.707 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -48.98 164.71 0.22 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.32 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -70.02 -36.12 74.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.09 46.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -106.76 136.93 45.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.0 m -142.56 171.14 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -41.06 -55.18 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -50.41 -61.54 5.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 7.2 t0 -35.32 -65.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.8 mm -50.65 -39.36 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 24.4 t70 -56.82 -38.68 72.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.35 -34.27 63.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 52.1 mt -60.53 -41.73 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.594 ' HB2' HD11 ' A' ' 66' ' ' ILE . 71.2 m-85 -113.84 32.93 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.37 -18.55 39.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.64 -38.29 40.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.3 mt -86.82 -177.57 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -96.96 113.91 25.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 61' ' ' PHE . 94.3 mt -103.68 114.44 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -81.14 -58.13 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.1 t -157.12 148.32 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 91.9 t -120.69 104.08 14.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -88.9 101.06 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.589 HD23 ' CB ' ' A' ' 84' ' ' CYS . 26.7 mt -83.73 117.57 23.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.4 t -70.81 149.25 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 173.47 12.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' CG ' ' HD3' ' A' ' 81' ' ' LYS . 3.5 m-20 -81.22 176.73 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -98.18 -28.37 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -99.83 -55.43 2.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.1 p -77.58 -29.61 52.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.99 48.51 20.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' PHE . 16.5 mtpt -123.88 137.23 54.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' LYS . 22.6 t80 -34.82 111.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD3' ' CG ' ' A' ' 74' ' ' ASP . 2.9 mmmp? -60.01 -43.9 94.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.423 ' C ' ' CZ ' ' A' ' 80' ' ' PHE . . . 149.32 -27.99 1.23 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -116.68 153.95 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.589 ' CB ' HD23 ' A' ' 71' ' ' LEU . 22.0 p -149.19 156.62 42.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -103.99 122.21 44.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.5 t -107.59 126.06 63.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -96.72 154.88 17.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.41 ' HE1' ' HB3' ' A' ' 43' ' ' ALA . 80.0 m-85 -129.97 166.39 20.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.67 -70.75 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -99.49 -177.25 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.482 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 7.5 p -81.89 -30.98 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -54.42 -46.31 73.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.466 ' HA ' HD22 ' A' ' 64' ' ' LEU . 2.5 m -55.79 -50.12 71.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.72 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 21.3 tp -60.46 -58.4 8.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.72 ' HA ' HD12 ' A' ' 98' ' ' LEU . 2.6 ttpm? -44.21 -43.0 6.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -70.43 -35.86 73.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.61 -20.27 63.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 95' ' ' LYS . 65.4 mt -70.01 -14.73 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.9 p -78.47 -27.89 46.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -57.87 -13.54 4.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.51 87.23 0.2 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 -7.91 2.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.466 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.76 168.78 14.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.1 mt -113.13 132.57 55.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.476 HD22 HD21 ' A' ' 110' ' ' LEU . 25.4 tp -109.05 96.45 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.54 -116.34 8.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -99.0 19.41 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -144.54 -175.11 4.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -112.56 -177.52 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.476 HD21 HD22 ' A' ' 105' ' ' LEU . 41.4 mt -130.27 147.41 51.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -132.41 102.85 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.0 t -115.1 120.57 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -139.06 158.55 43.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 73.3 mt -63.84 110.4 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.79 99.29 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -98.74 115.35 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -145.97 94.07 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.444 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 mtp85 -54.33 162.06 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -131.24 104.29 6.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -61.01 127.24 30.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -54.65 159.97 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -106.91 148.7 28.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.1 m -119.91 167.43 12.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -130.46 95.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.8 158.89 49.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.0 t -82.83 152.4 25.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.6 m -122.11 142.99 49.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -134.34 158.52 43.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 t -123.36 129.65 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.89 130.45 6.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.5 m -72.95 -52.9 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 m -78.26 104.73 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.35 -136.38 3.06 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -41.52 156.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.55 118.68 34.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.639 HD21 HD11 ' A' ' 98' ' ' LEU . 94.8 mt -99.62 156.09 35.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.614 0.721 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -45.63 131.13 12.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.2 m -73.35 -25.06 60.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -152.64 152.75 29.31 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.74 169.65 15.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.643 2.228 . . . . 0.0 112.334 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.79 177.65 28.23 Favored 'Cis proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -122.71 106.76 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.1 m -118.71 142.64 47.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.791 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -123.04 143.42 49.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -90.61 134.83 34.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.9 t -132.45 125.33 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.55 -179.55 15.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 108' ' ' ARG . 1.0 OUTLIER 69.46 39.33 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.8 mt -94.66 156.64 38.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -48.09 160.97 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.228 . . . . 0.0 112.334 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -58.5 -50.46 73.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -108.6 76.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.2 m -100.89 126.39 47.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 54' ' ' GLN . 25.0 m -115.95 158.85 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 53' ' ' VAL . 32.2 tt0 -36.95 -50.78 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -43.2 -57.79 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -45.42 -68.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.811 0.339 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.594 ' HA ' HD12 ' A' ' 60' ' ' ILE . 33.7 mm -46.77 -54.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.95 -27.37 3.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.64 -39.41 15.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 57' ' ' ILE . 66.9 mt -55.68 -43.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.135 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.719 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.3 m-85 -107.93 29.05 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 10.2 ptmm? -51.66 -46.72 63.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.441 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 33.8 t70 -47.99 -49.07 31.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 83.8 mt -74.13 172.16 12.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.0 m -100.04 88.78 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 61' ' ' PHE . 28.5 mt -75.28 135.05 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -98.48 -47.43 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.4 t -154.74 153.14 30.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.1 t -130.16 115.37 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -98.16 112.74 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.414 HD23 ' CB ' ' A' ' 84' ' ' CYS . 40.6 mt -99.29 115.1 28.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -73.0 144.75 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -147.98 161.24 41.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.14 -175.28 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -116.6 -39.59 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.58 -43.94 15.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.5 p -95.67 -37.19 10.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 65.71 46.7 2.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -107.84 171.74 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 81' ' ' LYS . 49.0 t80 -77.11 91.47 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 80' ' ' PHE . 10.8 mmmt -35.97 -44.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.425 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.08 -13.47 6.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -126.54 145.86 50.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.414 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.8 p -147.37 155.7 42.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -104.3 125.68 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' A' ' 88' ' ' PHE . 87.0 t -104.51 122.47 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -91.32 159.53 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CE1' HG12 ' A' ' 86' ' ' VAL . 83.1 m-85 -142.31 154.51 44.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -71.72 -47.54 53.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -118.4 176.5 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -79.59 -37.55 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -41.22 -56.48 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.469 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 20.0 m -48.15 -54.61 12.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.9 tp -56.3 -52.93 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 98' ' ' LEU . 30.4 tttp -45.23 -37.47 4.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.34 -42.65 44.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.22 -21.17 59.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.639 HD11 HD21 ' A' ' 35' ' ' LEU . 79.9 mt -70.45 -12.15 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.7 p -91.13 -10.95 40.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -82.42 1.5 37.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -77.46 46.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.72 -36.91 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.51 169.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 104' ' ' LEU . 10.3 mt -117.09 128.27 54.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.2 tp -105.65 94.01 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.98 -114.57 5.92 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.518 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -99.84 13.09 34.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.427 ' HB2' ' ND2' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -136.93 178.14 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.5 p -106.89 -179.61 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.99 135.25 55.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -126.94 102.33 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.7 t -118.05 122.6 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -132.33 169.89 15.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.2 mt -87.57 120.48 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -83.84 96.13 8.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -116.36 83.08 1.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -106.71 169.03 14.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -141.35 106.17 4.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.31 135.06 35.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.64 132.3 45.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -103.99 122.05 44.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -82.0 140.68 33.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.0 m -126.45 136.94 53.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -128.47 93.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.3 151.97 49.26 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.4 t -157.82 111.11 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 59.4 p -150.71 161.1 43.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.3 p -89.06 109.48 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.1 t -101.7 128.34 48.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.92 153.39 21.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -126.64 107.9 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 94.5 p -101.14 166.07 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.876 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 140.67 -75.01 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -64.28 143.78 57.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.833 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -96.36 93.88 7.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.1 mt -78.59 153.17 78.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.78 156.59 64.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.352 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 m -106.4 -38.31 6.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -137.09 153.91 75.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.491 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.76 169.57 15.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.85 168.5 67.59 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.32 0.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -120.21 102.04 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.9 m -109.8 148.18 31.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.627 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.24 145.19 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -97.58 141.61 30.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.7 t -139.52 123.55 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.92 -176.09 14.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.11 48.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.88 143.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.81 162.58 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -69.61 -36.62 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -85.92 47.95 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -105.2 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.9 m -114.59 154.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -37.67 -44.06 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.62 -59.15 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -48.61 -62.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.814 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.7 mm -45.47 -49.01 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.73 -42.48 57.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.33 76.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 57' ' ' ILE . 62.7 mt -60.7 -60.0 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -91.92 24.04 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -34.66 16.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -66.69 -38.53 86.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD11 ' OE1' ' A' ' 96' ' ' GLU . 83.5 mt -82.91 -179.29 7.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.4 m -97.7 125.37 42.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.26 111.49 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -83.57 -37.52 22.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 p -171.18 148.49 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -124.34 114.75 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtm180 -95.38 111.08 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.539 HD23 ' HB3' ' A' ' 84' ' ' CYS . 36.9 mt -93.04 116.84 29.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 83' ' ' PHE . 60.5 t -64.4 122.67 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mtp85 -111.94 174.36 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.71 -179.32 5.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -96.79 -20.66 18.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -107.18 -70.03 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -63.57 -24.52 67.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.53 39.84 17.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 80' ' ' PHE . 15.0 mmmt -121.62 157.96 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 79' ' ' LYS . 26.8 t80 -35.06 152.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -116.2 -39.37 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.62 -38.31 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CE2' HG11 ' A' ' 72' ' ' VAL . 4.8 p90 -111.53 154.6 24.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.539 ' HB3' HD23 ' A' ' 71' ' ' LEU . 1.7 p -148.84 163.15 38.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -114.07 125.73 54.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.9 t -103.27 133.16 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -99.23 135.17 41.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 97.9 m-85 -116.38 154.29 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -66.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -100.99 173.44 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG13 ' N ' ' A' ' 92' ' ' ASP . 9.6 p -68.3 -48.79 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.556 ' N ' HG13 ' A' ' 91' ' ' VAL . 6.7 m-20 -36.44 -60.06 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.55 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 37.5 m -40.91 -53.25 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.627 HD13 ' HB2' ' A' ' 43' ' ' ALA . 25.6 tp -60.78 -69.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' LEU . 26.4 ttpt -35.68 -45.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.528 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.75 -53.72 46.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.851 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -50.44 -38.47 43.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.3 mt -49.17 -18.99 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 96' ' ' GLU . 46.6 p -76.45 -36.86 57.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB2' HG21 ' A' ' 112' ' ' VAL . 17.7 m-85 -47.82 -20.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -57.76 84.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' TYR . . . 144.97 -13.01 1.91 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.43 169.12 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -114.84 138.45 50.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.64 98.06 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.5 -116.76 9.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -99.09 18.48 17.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.821 0.344 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -142.02 174.42 10.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.6 m -101.03 179.04 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 mt -124.86 143.8 50.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -134.66 99.35 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 100' ' ' TYR . 5.2 t -110.88 129.84 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -149.28 154.7 39.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 116' ' ' GLU . 15.9 mt -70.91 112.1 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.41 82.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 3.5 tp10 -60.19 141.21 56.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.54 135.82 2.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -108.73 127.47 54.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -90.04 -60.14 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -94.72 145.52 24.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -104.62 160.81 14.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -173.21 140.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 m -69.99 175.74 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -114.05 162.86 12.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.12 177.47 7.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 91.9 p -124.52 148.16 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 41.4 t -125.09 138.79 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -115.18 123.66 49.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.857 0.36 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.5 m -47.34 110.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.03 102.08 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -97.1 166.78 11.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.9 m -124.62 119.92 30.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -136.51 -149.81 5.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' GLU . 25.1 mtpp -90.41 124.9 35.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.721 0.296 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -34.62 130.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.7 mt -81.59 154.04 70.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -46.31 134.97 15.69 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.238 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.1 p -87.58 -34.55 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -149.96 152.94 35.1 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.673 0.749 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.5 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 43.6 Cg_endo -70.28 169.29 19.92 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.72 164.59 78.74 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 -1.812 . . . . 0.0 112.372 -0.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 49.6 m-85 -106.77 122.08 45.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.6 m -120.91 138.94 53.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.994 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.23 144.38 50.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.059 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 1.2 t80 -96.37 129.83 43.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.3 103.59 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.14 -174.95 18.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.84 47.22 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 57' ' ' ILE . 20.1 mt -118.24 144.04 34.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -48.97 160.66 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.74 -41.5 92.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -80.9 44.8 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 39.5 m -99.41 134.05 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -133.84 161.35 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -41.87 -43.33 3.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -52.64 -65.08 3.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -38.15 -51.7 1.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 48' ' ' LEU . 46.5 mm -56.24 -56.6 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -41.73 -41.76 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.36 -48.81 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -54.72 -38.17 42.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.138 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.649 ' HB2' HD11 ' A' ' 66' ' ' ILE . 69.6 m-85 -111.46 30.65 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -58.42 -12.33 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -92.18 -25.45 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD12 ' CD1' ' A' ' 61' ' ' PHE . 33.5 mt -99.4 155.11 17.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.5 t -76.89 123.98 27.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.649 HD11 ' HB2' ' A' ' 61' ' ' PHE . 62.1 mt -119.08 108.39 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -79.62 -44.66 20.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 t -162.08 155.93 21.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -130.45 125.3 59.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.104 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -102.26 104.27 14.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.691 HD23 ' HB3' ' A' ' 84' ' ' CYS . 31.4 mt -84.32 104.83 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 ' CE2' ' A' ' 83' ' ' PHE . 47.1 t -54.14 122.83 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -138.99 166.05 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.68 -177.34 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -95.22 -48.32 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.32 -64.96 1.04 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 71.7 p -65.95 -34.32 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' THR . 3.4 p30 49.01 39.35 14.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' PHE . 78.7 mttt -111.83 130.68 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' LYS . 39.3 t80 -35.93 107.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -55.07 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 169.9 -28.2 0.13 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.536 ' CE2' HG11 ' A' ' 72' ' ' VAL . 10.1 p90 -114.55 146.01 41.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.691 ' HB3' HD23 ' A' ' 71' ' ' LEU . 20.4 p -139.24 161.29 37.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -115.67 128.35 55.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.2 t -102.78 137.98 28.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -99.55 116.04 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 59.4 m-85 -97.13 137.84 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.21 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -97.55 177.16 5.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 41' ' ' TYR . 7.2 p -81.03 -26.06 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.25 -45.79 92.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.582 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 4.8 m -52.36 -58.83 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.994 HD13 ' HB2' ' A' ' 43' ' ' ALA . 14.7 tp -56.51 -52.18 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -48.5 -39.86 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.458 ' O ' HG23 ' A' ' 99' ' ' THR . 3.0 tp10 -70.85 -45.22 64.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.78 -30.04 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.076 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 37.3 mt -57.44 -17.77 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 96' ' ' GLU . 15.0 p -79.5 -23.61 42.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -64.36 -10.51 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 18.6 p-10 -70.0 93.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -9.87 2.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -102.6 158.36 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.9 mt -101.86 148.83 24.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.9 tp -106.83 90.15 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.13 -110.42 3.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.514 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -100.09 16.09 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.5 mmt-85 -140.58 -175.16 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.7 t -115.21 162.11 17.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 mt -112.77 144.42 42.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.7 tpp85 -130.94 99.23 4.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.9 t -106.03 131.3 55.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -157.83 148.77 21.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -69.89 123.08 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.88 75.21 6.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -39.45 137.1 0.85 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -178.59 72.46 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.556 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.9 170.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -137.27 167.13 22.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -92.93 87.79 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -123.47 135.1 53.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -105.41 169.16 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.9 t -134.78 101.75 5.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.02 146.2 15.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -48.97 -179.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.0 m -73.36 -50.1 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -170.0 150.01 3.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.8 p -100.04 83.54 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.2 t -141.87 120.19 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.13 -53.82 2.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.53 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -109.47 162.37 14.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 t -95.49 89.96 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.41 -111.68 4.33 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -47.23 174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -99.83 116.24 31.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -95.13 155.16 39.26 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -69.43 131.6 22.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.75 2.3 . . . . 0.0 112.343 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -97.08 -12.1 23.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -148.73 144.55 18.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.2 Cg_endo -72.58 169.07 22.74 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.645 2.23 . . . . 0.0 112.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.4 Cg_endo -69.77 172.88 46.99 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.328 -0.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -117.77 94.04 4.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 74.3 m -91.32 142.81 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.63 149.75 52.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -103.76 127.56 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.7 t -129.95 118.56 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.16 -176.32 14.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.72 52.13 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HD11 ' A' ' 57' ' ' ILE . 19.1 mt -112.81 143.44 29.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 0.0 110.942 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' NH1' ' A' ' 108' ' ' ARG . 54.5 Cg_exo -49.12 162.84 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -65.83 -42.51 90.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -82.69 44.87 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.7 m -106.19 122.95 47.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.6 m -131.69 176.77 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -41.19 -47.94 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.18 -61.27 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.7 t70 -35.14 -60.69 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.789 0.328 . . . . 0.0 110.863 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.488 HD11 HD13 ' A' ' 48' ' ' LEU . 11.8 mm -54.21 -42.01 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' GLY . 32.2 t70 -56.25 -33.93 65.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.35 -36.55 58.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 54.0 mt -66.55 -50.43 66.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.786 ' HB2' HD11 ' A' ' 66' ' ' ILE . 38.3 m-85 -97.65 28.38 3.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -60.81 -11.3 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.13 -12.44 32.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 71.9 mt -111.66 163.51 14.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 p -85.26 92.84 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 61' ' ' PHE . 39.8 mt -86.79 112.96 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -76.73 -43.67 36.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -172.66 155.7 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.3 t -120.04 150.92 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -122.92 109.76 14.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.6 HD23 ' CB ' ' A' ' 84' ' ' CYS . 29.2 mt -103.86 129.34 51.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 73' ' ' ARG . 65.2 t -101.28 159.08 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.531 ' N ' HG12 ' A' ' 72' ' ' VAL . 41.4 mtt85 -148.46 146.31 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.422 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 4.0 t70 -62.48 -175.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -113.85 -70.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -34.08 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.9 p -104.72 -22.73 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 49.82 26.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -100.49 152.35 20.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -54.33 117.61 3.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 74' ' ' ASP . 7.3 mmmm -59.66 -67.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.44 33.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.503 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -162.63 155.98 20.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.6 ' CB ' HD23 ' A' ' 71' ' ' LEU . 20.2 p -161.14 147.9 14.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -98.11 121.81 40.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.4 122.38 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -93.68 135.34 35.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -108.88 177.72 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.44 -62.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -104.18 153.37 21.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.68 -31.99 30.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -61.17 -46.61 89.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.9 m -50.9 -56.21 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 43' ' ' ALA . 11.4 tp -59.0 -48.35 81.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -48.17 -41.27 26.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -72.01 -37.96 69.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -66.94 -18.48 65.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.62 -25.14 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.9 p -65.76 -14.38 61.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -79.55 2.07 23.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 14.7 p-10 -72.43 86.77 1.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.49 4.98 4.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.76 171.88 10.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.828 0.347 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.7 mt -119.18 128.92 54.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.5 tp -105.47 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.92 -115.07 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -99.29 18.53 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.34 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 49' ' ' PRO . 30.8 mtt180 -141.07 -176.35 4.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.6 p -110.67 177.75 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.5 mt -124.24 138.95 54.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -125.06 100.76 6.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.9 127.63 72.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -152.23 158.15 42.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 116' ' ' GLU . 46.5 mt -71.92 124.64 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.12 82.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 114' ' ' ILE . 4.9 tp10 -43.64 135.16 3.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -147.45 139.15 7.64 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.401 ' C ' ' HD2' ' A' ' 118' ' ' ARG . 4.5 tmm_? -129.2 137.77 51.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.74 121.88 10.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.446 ' HG2' ' N ' ' A' ' 121' ' ' ASP . 26.6 tt0 -60.89 149.93 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.446 ' N ' ' HG2' ' A' ' 120' ' ' GLN . 9.4 t70 -49.36 164.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -95.26 110.58 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t -83.63 96.67 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -106.33 94.43 0.95 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.62 168.5 24.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.288 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.1 m -101.87 85.62 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.1 t -74.56 -55.47 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLY . 3.7 m -37.95 106.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.8 t -95.77 101.17 12.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.28 -162.1 33.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 85.6 p -145.35 175.32 10.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 151.33 44.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.98 -105.22 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -44.16 136.58 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.78 0.324 . . . . 0.0 110.889 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -77.28 124.21 27.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.7 HD23 ' CD1' ' A' ' 114' ' ' ILE . 19.9 mt -84.26 152.0 60.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.8 140.92 52.42 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.5 p -83.25 -37.04 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.32 155.18 75.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 37.1 Cg_endo -66.57 169.86 13.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.77 173.95 42.56 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.36 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -122.08 94.95 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -99.49 146.04 26.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -136.69 153.48 50.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.079 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -105.53 142.26 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.9 t -136.34 119.93 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.06 -175.28 17.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.89 54.61 8.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.8 mt -101.36 152.27 37.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -45.12 141.84 6.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -45.34 -46.36 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -109.81 79.51 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 27.2 m -105.32 144.09 32.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.0 m -136.55 154.62 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' VAL . 3.2 tt0 -36.44 -39.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.5 -45.91 93.86 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' VAL . 15.9 m-20 -52.87 -55.63 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.8 mm -54.76 -45.36 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -56.59 -34.44 67.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.08 59.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.42 -56.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 66' ' ' ILE . 61.3 m-85 -101.77 29.57 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -54.28 -24.47 19.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.23 -27.73 53.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.581 HD22 ' HA ' ' A' ' 93' ' ' SER . 51.3 mt -93.53 168.73 10.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -92.48 110.71 22.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.785 HD11 ' HB2' ' A' ' 61' ' ' PHE . 65.5 mt -105.83 118.61 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -76.31 -44.99 34.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 t -174.67 150.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.6 t -112.89 138.09 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -105.17 112.87 26.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.1 mt -102.35 133.27 47.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 73' ' ' ARG . 56.4 t -109.03 153.45 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 72' ' ' VAL . 49.5 mtp180 -141.46 174.38 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -79.08 176.79 9.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -105.4 -21.22 13.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -111.09 -68.38 0.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.7 p -62.58 -24.99 67.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 41.2 t0 52.56 43.14 31.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -111.02 168.87 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -70.13 98.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -41.84 -59.36 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 131.14 25.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -155.98 147.73 23.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.9 p -158.14 160.09 36.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -111.77 134.96 52.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.36 135.67 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -97.73 143.38 28.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 47.8 m-85 -121.24 135.7 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -65.23 -62.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -100.1 173.0 6.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 92' ' ' ASP . 14.4 p -72.87 -49.08 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.584 ' N ' HG13 ' A' ' 91' ' ' VAL . 1.3 p30 -44.79 -40.65 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.581 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.1 m -53.82 -48.54 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.625 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 28.3 tp -68.33 -47.98 66.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.567 ' CD ' HG22 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -49.68 -43.85 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -71.72 -37.94 70.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.7 63.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.604 HD21 ' CG1' ' A' ' 114' ' ' ILE . 53.0 mt -74.12 -17.27 60.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.3 p -76.16 -7.94 55.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.419 ' HB2' HG21 ' A' ' 112' ' ' VAL . 50.5 m-85 -83.52 -1.61 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -76.61 66.28 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.24 32.69 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -123.0 128.51 50.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.65 128.54 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -100.42 90.32 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 60.47 -115.87 8.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -97.68 26.56 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -144.64 176.25 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -115.87 161.4 18.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -127.41 138.84 53.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -132.11 99.59 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.419 HG21 ' HB2' ' A' ' 100' ' ' TYR . 19.3 t -110.04 135.09 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -154.52 152.18 29.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.7 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.6 mt -71.39 113.7 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.6 107.54 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.063 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -123.2 126.87 47.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -133.86 73.14 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -87.92 106.12 17.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -67.3 153.69 43.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -138.1 130.29 28.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -103.28 108.55 19.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -67.37 -55.05 15.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.0 p -53.08 166.99 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.78 81.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.28 173.29 13.3 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.744 2.296 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.0 m -107.6 119.31 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.5 m -76.35 174.45 10.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -51.21 177.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -114.75 -60.87 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.29 -43.03 1.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.7 m -91.84 158.89 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.5 m -164.66 164.43 21.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 122.82 -87.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -40.41 161.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -146.98 126.69 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.58 157.45 2.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.718 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -70.2 149.09 63.6 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 44.7 p -96.05 -33.73 12.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.174 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -149.78 152.21 34.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.499 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.79 169.62 15.75 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.0 Cg_endo -69.82 151.15 91.32 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.616 -1.827 . . . . 0.0 112.358 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.517 ' CZ ' ' HB ' ' A' ' 91' ' ' VAL . 68.5 m-85 -90.71 107.21 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 m -103.74 141.26 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.633 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -128.14 148.52 50.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -107.84 128.03 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.9 t -130.45 116.12 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.97 -179.7 17.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.5 40.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD13 HG21 ' A' ' 52' ' ' THR . 65.5 mt -95.59 152.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.726 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -47.73 165.86 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -60.09 -43.35 95.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.79 79.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.681 HG21 HD13 ' A' ' 48' ' ' LEU . 53.0 m -101.89 120.15 39.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.9 m -108.45 153.36 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' VAL . 17.1 tt0 -36.74 -49.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -44.71 -62.69 2.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.6 t70 -35.04 -54.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -57.23 -50.12 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.49 -37.12 16.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.06 -46.06 53.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.99 -38.35 76.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -117.05 32.24 6.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -59.77 -48.87 79.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -46.43 -39.52 10.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.664 HD22 ' HA ' ' A' ' 93' ' ' SER . 19.1 mt -85.15 177.96 7.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.5 m -109.51 108.68 19.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.4 mt -92.33 117.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -73.72 -41.55 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.7 p -163.68 166.94 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.8 t -142.52 125.2 13.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -111.32 117.3 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 84' ' ' CYS . 69.1 mt -99.93 131.14 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.1 t -85.85 111.2 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -97.76 172.21 7.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -88.75 -178.36 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -107.25 -39.89 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.6 p -72.03 -27.69 62.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 63.54 34.36 12.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -109.2 160.57 15.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -46.73 124.09 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -68.61 -71.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.12 -23.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -130.55 147.37 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.468 ' CB ' HD23 ' A' ' 71' ' ' LEU . 27.5 p -143.68 166.65 24.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -113.99 127.74 56.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -103.65 137.01 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -102.17 128.06 48.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 61.3 m-85 -106.54 154.38 20.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -81.88 -47.88 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -118.99 157.68 27.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.531 HG22 ' HG3' ' A' ' 95' ' ' LYS . 10.7 p -60.9 -33.26 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.523 ' CG ' ' N ' ' A' ' 93' ' ' SER . 0.6 OUTLIER -51.01 -54.04 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.664 ' HA ' HD22 ' A' ' 64' ' ' LEU . 19.0 m -48.34 -58.06 5.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.6 tp -57.22 -56.49 21.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' A' ' 91' ' ' VAL . 7.0 mtpt -45.99 -37.34 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.79 -39.56 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.92 -21.48 65.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 66.5 mt -70.24 -15.33 62.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.1 p -81.19 -8.96 59.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.48 ' HB2' HG21 ' A' ' 112' ' ' VAL . 20.3 m-85 -76.65 -6.06 50.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -75.5 105.61 6.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.19 -17.16 7.1 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.29 155.7 20.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 111.098 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.4 137.05 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.744 HD22 HD21 ' A' ' 110' ' ' LEU . 18.7 tp -112.63 94.92 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 68.68 -116.14 7.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.96 14.39 30.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -142.67 175.85 9.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -100.26 178.82 4.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.744 HD21 HD22 ' A' ' 105' ' ' LEU . 52.1 mt -124.06 146.08 48.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 102.64 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 100' ' ' TYR . 2.6 t -114.88 113.5 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.25 157.29 42.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.87 127.61 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.12 100.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -88.14 132.63 34.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.11 110.59 2.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 100.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 20.4 mmtt -82.45 127.66 33.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -152.79 150.47 29.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -109.27 154.18 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.91 156.85 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.6 p -66.75 146.25 54.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.895 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.57 80.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -49.65 149.3 10.54 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.669 2.246 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.3 t -44.16 137.97 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.0 m -51.43 -60.22 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.4 t -161.47 129.74 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -98.8 163.82 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.3 74.81 0.18 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.7 p -139.79 115.14 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 t -172.57 144.27 1.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -170.56 -55.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' CE ' HD13 ' A' ' 98' ' ' LEU . 16.0 pttm -48.83 171.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -110.32 78.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -55.03 156.65 6.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -70.19 159.04 54.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 112.321 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.7 m -112.26 -38.23 4.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -127.52 139.59 35.65 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.633 0.73 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.505 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.9 Cg_endo -77.14 168.86 22.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.75 179.8 21.27 Favored 'Cis proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.346 -0.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 7.7 m-85 -119.88 127.04 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.8 m -118.58 125.15 49.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -109.37 142.1 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -94.6 133.82 37.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 t -133.25 130.61 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.93 -178.78 15.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 40.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 HG21 ' A' ' 52' ' ' THR . 15.2 mt -97.03 156.34 36.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.625 0.726 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.39 164.24 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.687 2.258 . . . . 0.0 112.309 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -58.05 -46.89 84.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 51' ' ' ASN . 15.2 p-10 -106.31 74.83 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.488 HG21 HD13 ' A' ' 48' ' ' LEU . 32.1 m -96.51 122.53 39.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.16 167.45 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -45.98 -54.85 7.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -46.87 -54.95 8.74 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -37.85 -50.64 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.742 0.306 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.7 mm -64.0 -53.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -44.7 -32.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.33 -46.44 20.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -54.83 -54.1 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -102.53 31.83 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -57.7 -35.93 71.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -62.71 -41.08 98.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 93' ' ' SER . 57.6 mt -76.86 178.35 6.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.0 m -97.64 97.26 8.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.401 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 48.7 mt -91.05 122.33 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -91.83 -60.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 76.2 p -147.06 131.65 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -108.56 116.32 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -103.26 108.43 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 84' ' ' CYS . 25.5 mt -88.54 116.58 26.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.477 HG21 ' CE2' ' A' ' 83' ' ' PHE . 42.9 t -65.4 138.86 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.071 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -144.85 173.7 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -86.87 -177.98 6.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -107.71 -24.08 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.56 -68.26 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 67.3 p -70.16 -42.25 72.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.5 t70 72.78 40.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -113.46 169.58 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.483 ' HZ ' HD12 ' A' ' 48' ' ' LEU . 34.6 t80 -61.73 132.67 53.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -85.12 -51.35 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 154.14 -32.22 0.72 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 72' ' ' VAL . 33.8 p90 -117.39 164.0 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.436 ' CB ' HD23 ' A' ' 71' ' ' LEU . 18.9 p -158.79 149.3 19.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -98.3 121.37 40.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.972 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -104.78 119.66 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -87.25 133.82 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 83.5 m-85 -111.89 173.36 6.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -97.09 -68.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -91.97 153.37 19.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.51 -29.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -45.55 77.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.537 ' HA ' HD22 ' A' ' 64' ' ' LEU . 3.6 m -52.78 -59.78 4.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.608 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 8.8 tp -53.68 -56.92 13.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -47.67 -32.2 5.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -78.6 -48.76 14.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.34 -36.17 52.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.433 HD13 ' CE ' ' A' ' 33' ' ' LYS . 92.5 mt -52.51 -22.78 5.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.1 p -77.07 -35.39 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -52.38 -16.78 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -67.5 90.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.47 -18.44 1.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -85.0 175.07 9.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.775 0.322 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.5 mt -111.45 132.38 54.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 tp -104.6 93.94 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.12 -116.0 8.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -97.49 22.05 9.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -148.5 -178.93 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -103.93 176.73 5.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 31.7 mt -118.5 142.79 47.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -134.51 101.78 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.1 t -113.87 130.95 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -155.64 151.27 27.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 48.6 mt -66.67 139.38 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -96.65 142.44 28.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -128.19 166.28 18.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -155.2 -88.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.3 41.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -83.64 51.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -155.03 175.39 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -116.73 170.57 8.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -136.14 131.93 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.2 t -68.71 158.92 33.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.819 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -61.78 146.54 48.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -76.42 141.99 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.39 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.0 t -59.03 -42.1 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 128' ' ' GLY . 40.9 m -86.2 147.46 26.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -82.23 139.16 34.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.6 p -173.12 120.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.33 54.26 0.58 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.9 t -151.85 128.65 10.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.8 p -64.52 142.7 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -165.23 -174.67 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -87.91 114.28 24.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.77 0.319 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -43.4 128.37 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.5 mt -89.59 154.77 48.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.628 0.728 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 66.0 Cg_exo -46.85 132.54 17.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 m -67.86 -45.57 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -151.2 156.98 35.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.726 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.493 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.3 Cg_endo -67.65 169.63 15.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.0 Cg_endo -69.72 145.74 80.17 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.361 -0.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 30.5 m-85 -92.88 106.67 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.5 m -94.88 133.15 38.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -121.59 138.1 54.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.052 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 3.3 t80 -99.37 139.32 35.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.23 127.07 31.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.77 -174.43 14.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.36 45.38 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.904 0.383 . . . . 0.0 110.9 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.8 mt -103.56 150.38 38.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.16 162.81 0.71 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.404 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.4 -39.59 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -110.39 73.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.5 m -97.05 129.21 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 32.1 m -117.83 150.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.3 tt0 -37.26 -49.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.62 -61.71 4.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' GLY . 1.6 t70 -37.49 -58.35 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -54.57 -49.93 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -50.29 -31.3 13.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.41 -44.46 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.77 -57.08 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -94.74 26.26 3.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -58.43 -34.85 71.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.17 -40.61 94.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 93' ' ' SER . 29.1 mt -84.25 167.37 16.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.1 m -85.5 108.51 17.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.5 mt -94.2 125.56 46.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -89.29 -50.4 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 t -164.6 147.37 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -112.8 134.63 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -113.32 108.07 16.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 78.9 mt -96.84 148.46 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG12 ' HG3' ' A' ' 81' ' ' LYS . 58.4 t -104.58 142.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -134.62 153.26 52.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.72 178.65 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -94.82 -39.89 10.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -89.13 -70.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.4 p -66.2 -16.15 63.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 42.75 46.82 4.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -120.95 169.4 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 31.1 t80 -50.93 143.83 9.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.504 ' HG3' HG12 ' A' ' 72' ' ' VAL . 26.6 mmtt -94.3 -55.41 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.41 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 151.12 -15.54 0.88 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.529 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -132.77 145.67 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.8 p -144.28 166.01 26.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.45 ' CD1' ' N ' ' A' ' 85' ' ' TYR . 2.7 m-85 -120.84 127.41 51.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -101.98 139.06 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -102.01 135.97 42.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -120.64 157.99 28.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -82.97 -68.31 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -92.2 162.61 14.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 4.4 p -71.98 -26.48 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -56.36 -51.64 67.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.45 ' HA ' HD22 ' A' ' 64' ' ' LEU . 30.3 m -48.73 -59.07 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.83 HD13 ' HB2' ' A' ' 43' ' ' ALA . 16.2 tp -57.51 -58.1 9.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -40.86 -39.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -77.06 -48.81 16.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.04 -26.94 12.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.85 -28.21 69.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 44.0 p -62.02 -16.21 50.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.22 -0.16 18.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -73.74 81.52 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.04 -4.11 2.06 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.83 168.15 13.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -114.06 133.54 55.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.418 HD22 HD21 ' A' ' 110' ' ' LEU . 55.6 tp -109.9 95.15 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 62.99 -118.07 13.05 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.14 25.18 6.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -148.22 -179.34 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.1 t -111.28 170.1 8.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.418 HD21 HD22 ' A' ' 105' ' ' LEU . 28.7 mt -116.96 139.56 50.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -128.77 99.67 5.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.0 t -110.75 127.78 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -152.07 162.95 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 70.9 mt -76.34 128.79 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.81 118.55 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.78 98.36 8.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -152.03 66.53 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.523 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -133.65 108.36 8.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.417 ' NZ ' ' HA ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -76.8 124.39 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -147.87 121.34 9.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.55 154.5 6.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -90.29 73.18 7.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.8 t -46.84 126.45 8.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.5 95.23 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -46.94 120.38 4.11 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.5 m 60.0 50.03 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.3 t -68.24 127.59 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.6 t -82.5 -59.41 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.3 m -55.83 125.03 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.75 149.77 16.66 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.7 p -98.09 137.06 37.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -79.32 -44.46 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.31 172.35 19.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.54 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -38.55 145.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.3 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.37 150.21 27.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.26 155.07 75.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.628 0.728 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -69.86 153.52 68.39 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 p -100.97 -14.95 17.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -165.05 156.32 12.9 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.502 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.9 Cg_endo -67.73 169.62 15.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.358 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.9 Cg_endo -69.71 162.16 84.56 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.327 -0.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -109.94 99.22 8.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.3 m -112.03 139.01 47.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -124.31 140.8 52.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.38 129.23 37.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 112' ' ' VAL . 62.0 t -125.73 110.98 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.89 -172.48 17.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.548 ' ND2' ' NH2' ' A' ' 108' ' ' ARG . 0.3 OUTLIER 61.59 49.98 4.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.9 mt -111.39 155.65 42.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.21 156.09 4.12 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -63.08 -27.19 69.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.28 67.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -100.24 117.25 34.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 54' ' ' GLN . 11.5 m -109.42 153.6 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 53' ' ' VAL . 31.4 tt0 -34.85 -64.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -38.52 -57.96 1.79 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.424 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 55' ' ' GLY . 3.9 t70 -35.81 -64.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.328 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.813 ' HA ' HD12 ' A' ' 60' ' ' ILE . 26.5 mm -52.13 -50.25 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -48.3 -34.71 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 -38.98 49.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.813 HD12 ' HA ' ' A' ' 57' ' ' ILE . 45.5 mt -56.8 -43.67 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -111.47 34.12 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 pttt -58.58 -23.3 58.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.43 -41.94 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.558 HD22 ' HA ' ' A' ' 93' ' ' SER . 27.2 mt -85.47 176.16 8.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -98.67 117.71 33.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 49.1 mt -103.33 115.1 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -74.91 -51.42 13.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.8 m -158.62 143.8 16.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.62 131.36 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -118.59 107.64 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.8 mt -88.1 107.29 18.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.862 HG23 ' HA ' ' A' ' 84' ' ' CYS . 19.5 t -60.95 135.02 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -148.55 -179.17 6.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.88 -178.86 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -87.86 -58.78 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.51 -64.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 60.7 p -65.56 -31.22 72.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 77' ' ' THR . 5.9 p-10 45.46 46.96 10.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -105.03 143.29 33.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -44.24 103.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HD3' HG12 ' A' ' 72' ' ' VAL . 18.3 mtpt -62.09 -39.18 91.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.57 -34.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 72' ' ' VAL . 31.4 p90 -114.98 166.18 12.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.862 ' HA ' HG23 ' A' ' 72' ' ' VAL . 6.7 p -158.66 162.17 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -112.38 126.21 55.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.417 HG12 ' CE1' ' A' ' 88' ' ' PHE . 20.9 t -102.71 138.61 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -111.27 127.49 55.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 51.0 m-85 -107.13 170.83 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -84.08 -53.13 5.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -112.27 170.67 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.97 -23.77 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.71 -62.29 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.558 ' HA ' HD22 ' A' ' 64' ' ' LEU . 13.7 m -43.61 -60.49 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.4 tp -49.15 -48.29 45.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -52.59 -39.74 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -80.28 -29.67 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.19 -22.83 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.7 mt -68.59 -25.75 65.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -76.95 -4.49 44.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -90.27 0.53 57.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -77.64 47.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -175.17 -32.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.83 159.75 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.8 mt -106.02 128.5 53.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.85 HD22 HD21 ' A' ' 110' ' ' LEU . 39.4 tp -107.42 103.23 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.69 -118.51 14.93 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.5 p-10 -98.59 21.25 11.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.548 ' NH2' ' ND2' ' A' ' 47' ' ' ASN . 0.6 OUTLIER -147.16 -178.78 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.486 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 4.7 m -110.59 174.95 5.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.85 HD21 HD22 ' A' ' 105' ' ' LEU . 67.3 mt -120.99 141.61 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -127.71 103.48 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 45' ' ' VAL . 2.7 t -116.64 133.8 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -150.24 163.59 37.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 37.6 mt -73.2 140.27 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.04 101.31 12.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -117.69 80.73 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -125.92 98.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 119' ' ' LYS . 19.7 tpp180 -63.47 151.59 40.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 118' ' ' ARG . 34.9 mmtt -123.23 136.8 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -127.14 163.46 23.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -153.34 146.08 24.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -125.83 149.67 48.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t -120.17 120.25 35.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.37 100.32 0.21 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.457 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -73.21 126.85 11.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.651 2.234 . . . . 0.0 112.349 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.3 t -69.56 87.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.6 m -126.23 175.25 7.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 m 56.03 43.0 27.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.2 p -118.16 130.71 56.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.799 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.55 -122.69 2.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 t -53.53 118.75 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.4 m -66.85 111.32 3.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 -106.78 2.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -72.69 113.98 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -104.17 153.73 20.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 98' ' ' LEU . 21.5 mt -84.59 152.15 59.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.45 145.22 64.2 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 t -108.69 34.0 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -173.55 139.01 0.79 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.686 0.755 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.507 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.0 Cg_endo -79.9 168.73 18.8 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.74 -179.88 20.38 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.313 -0.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 91' ' ' VAL . 98.1 m-85 -111.6 110.64 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 m -109.34 145.68 35.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.801 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . . . -137.59 135.01 36.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -92.09 136.75 32.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.5 121.09 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.54 -175.92 14.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.74 42.16 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 57' ' ' ILE . 27.8 mt -104.19 152.67 39.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.617 0.723 . . . . 0.0 110.962 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -46.33 153.38 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.649 2.232 . . . . 0.0 112.355 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -54.85 -45.15 74.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -104.86 74.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.4 m -106.93 133.79 51.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.6 m -119.32 167.53 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -46.76 -50.05 18.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.87 -58.51 4.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -41.66 -58.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.544 HD11 HD13 ' A' ' 48' ' ' LEU . 26.8 mm -55.56 -52.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' HA ' HD12 ' A' ' 66' ' ' ILE . 1.6 t70 -47.35 -34.03 6.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.05 -43.02 45.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.94 -45.77 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' HB2' HD11 ' A' ' 66' ' ' ILE . 36.4 m-85 -109.44 33.58 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 63' ' ' ASP . 21.0 pttm -58.63 -51.41 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 62' ' ' LYS . 21.2 m-20 -49.83 -38.4 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 61' ' ' PHE . 76.7 mt -75.39 172.84 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -100.26 85.14 2.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 61' ' ' PHE . 58.1 mt -72.6 104.89 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -44.65 71.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -169.54 145.28 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.52 132.11 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -115.38 107.09 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 84' ' ' CYS . 14.4 mt -96.49 110.68 23.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -71.19 144.3 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -142.73 145.69 33.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.37 174.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -105.58 -0.34 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.68 -64.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.5 p -86.68 -25.18 24.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.5 t70 61.73 42.97 10.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -113.05 168.7 9.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -62.12 114.78 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -66.59 -31.89 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 123.06 12.14 4.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.32 142.0 14.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.629 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.4 p -145.82 169.63 18.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -115.87 135.18 54.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.6 t -111.99 133.29 58.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.89 138.26 33.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -120.03 140.11 51.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -58.03 -68.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -109.47 172.91 6.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 41' ' ' TYR . 9.8 p -67.31 -33.68 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -46.4 -60.19 2.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.8 m -53.81 -61.08 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.801 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 9.6 tp -42.88 -49.01 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HA ' HD12 ' A' ' 98' ' ' LEU . 13.3 ttpp -59.16 -51.74 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -54.55 -23.64 17.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.74 -28.57 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' CD1' ' CD2' ' A' ' 35' ' ' LEU . 55.4 mt -66.43 -8.79 28.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 42.9 p -86.43 -16.04 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -67.76 -13.56 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 11.0 p-10 -58.35 90.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 134.93 -7.01 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -86.4 162.34 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -110.69 131.97 54.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -106.45 99.72 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.26 -114.42 6.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.85 24.66 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -149.27 179.69 7.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 m -108.16 -179.36 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.5 mt -123.6 144.24 49.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.98 100.66 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 t -117.52 131.15 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -157.45 154.84 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 35' ' ' LEU . 26.6 mt -72.27 116.43 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.59 88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -73.64 98.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.63 -147.53 9.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.8 mtm105 -132.9 138.14 46.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.828 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -72.74 116.5 13.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -152.05 107.41 3.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -168.75 117.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 13.0 pttm -59.68 169.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -74.9 131.45 40.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -50.97 146.24 10.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -77.98 151.36 27.38 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.0 t -89.79 114.26 25.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.6 m -82.45 -51.81 7.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.439 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.0 t -92.03 136.34 33.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.0 m -145.51 153.03 40.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.57 157.07 29.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.507 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.7 m -118.54 -48.68 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -68.39 106.02 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.32 158.74 27.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -70.89 115.85 10.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.6 107.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD21 ' CD1' ' A' ' 98' ' ' LEU . 45.5 mt -73.33 155.88 89.48 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.721 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HB2' ' CE1' ' A' ' 41' ' ' TYR . 54.2 Cg_exo -49.21 147.06 12.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.718 2.279 . . . . 0.0 112.319 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -102.27 -26.42 13.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 6.5 tp10 -145.83 140.48 15.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 49.7 Cg_endo -72.58 169.06 22.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.78 178.82 24.18 Favored 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.331 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 36' ' ' PRO . 47.7 m-85 -120.79 114.58 21.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' GLU . 4.4 m -110.24 133.58 53.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.912 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -114.92 145.84 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -106.47 120.48 42.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.01 112.7 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -114.57 -172.46 17.58 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 73.04 41.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 ' HZ ' ' A' ' 80' ' ' PHE . 25.6 mt -104.52 153.29 39.26 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.5 157.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.662 2.241 . . . . 0.0 112.347 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.486 ' CE2' ' HB2' ' A' ' 51' ' ' ASN . 16.5 p90 -51.43 -41.96 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.486 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 7.5 t-20 -116.99 80.73 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.1 m -106.31 139.71 40.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.47 156.46 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -21.78 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.66 -61.13 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -44.61 -58.24 3.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.84 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 86' ' ' VAL . 49.3 mm -51.38 -41.22 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -56.03 -42.86 77.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.46 -45.98 57.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 57' ' ' ILE . 57.4 mt -51.08 -41.8 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -106.56 26.33 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -55.68 -26.3 44.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.39 -38.19 71.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.854 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.578 ' CD1' ' HB2' ' A' ' 97' ' ' ALA . 70.5 mt -84.82 157.65 20.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.6 m -83.87 87.65 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.3 mt -67.03 141.09 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -98.38 -49.25 4.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.3 p -168.32 156.21 8.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -119.75 129.71 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -120.28 112.32 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.681 HD23 ' CB ' ' A' ' 84' ' ' CYS . 59.5 mt -99.63 119.97 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 72.7 t -81.93 139.75 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -135.28 153.1 52.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.76 -177.22 2.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -109.12 -26.2 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -80.4 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -93.5 -16.7 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 45.4 t0 49.07 45.05 23.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -116.72 152.18 34.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.552 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 39.0 t80 -44.4 121.79 2.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -69.83 -38.46 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.552 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 134.82 -9.04 4.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -136.47 152.1 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.681 ' CB ' HD23 ' A' ' 71' ' ' LEU . 30.2 p -142.37 158.59 43.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -106.48 114.41 28.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 57' ' ' ILE . 66.0 t -102.76 127.6 56.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' A' ' 42' ' ' THR . 15.4 mt-10 -99.63 156.96 16.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -133.58 155.38 49.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -69.55 -70.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -95.44 166.8 11.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 92' ' ' ASP . 7.6 p -70.32 -49.01 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.557 ' N ' HG13 ' A' ' 91' ' ' VAL . 30.2 t70 -38.7 -50.9 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 m -45.25 -62.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.912 HD13 ' HB2' ' A' ' 43' ' ' ALA . 10.3 tp -61.0 -52.5 64.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HA ' HD12 ' A' ' 98' ' ' LEU . 19.5 ttmt -39.47 -34.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.3 -48.7 10.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.578 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -52.39 -23.67 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.703 ' CD1' HD21 ' A' ' 35' ' ' LEU . 81.8 mt -60.68 -26.83 67.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.416 ' C ' ' N ' ' A' ' 101' ' ' ASP . 35.6 p -66.56 -38.46 87.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -42.93 -23.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 13.5 p-10 -60.01 98.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.56 -9.96 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.28 166.27 13.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 104' ' ' LEU . 9.5 mt -105.85 133.37 50.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.1 tp -109.89 94.22 4.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 64.47 -118.12 12.06 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -97.36 21.7 9.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 -145.51 -177.21 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -108.28 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.0 mt -114.74 137.59 51.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -134.51 102.17 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.9 t -119.93 135.32 60.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.07 164.39 38.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.2 mt -77.05 117.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 95.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -103.84 137.93 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -164.79 -78.95 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -68.11 119.57 12.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -85.5 149.78 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -90.63 141.6 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -120.52 130.54 54.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.46 153.06 22.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 t -138.67 108.21 6.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 168.32 146.3 4.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -48.67 171.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.0 p -149.0 134.53 18.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.9 t -75.88 112.83 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 28' ' ' SER . 35.6 m -114.35 112.8 23.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 27' ' ' SER . 83.7 p -36.28 -42.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.52 111.9 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 t -94.09 101.05 13.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.2 t -144.83 139.89 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 97.04 2.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mttp -93.64 147.68 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.745 0.307 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.532 ' O ' HD13 ' A' ' 114' ' ' ILE . 5.9 mt-10 -110.08 89.92 3.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 98' ' ' LEU . 27.3 mt -80.31 151.75 72.67 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.581 0.705 . . . . 0.0 110.922 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.96 135.11 31.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.639 2.226 . . . . 0.0 112.335 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -82.0 -25.73 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.24 161.44 29.36 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.524 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 31.3 Cg_exo -59.66 166.87 7.47 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 54.1 Cg_endo -69.73 153.13 92.79 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.367 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' ' 91' ' ' VAL . 21.2 m-85 -108.02 86.21 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 m -103.97 144.94 30.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -127.05 153.88 45.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 115' ' ' ALA . 30.7 t80 -109.41 116.55 32.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.46 108.36 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -113.98 -178.38 19.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.496 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 70.52 45.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 57' ' ' ILE . 14.0 mt -111.74 144.06 29.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.6 0.714 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_exo -48.81 164.72 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -71.11 -41.75 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.859 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -82.1 49.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 66.1 m -107.82 136.07 48.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' GLN . 23.2 m -135.7 163.92 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' VAL . 9.0 tt0 -37.17 -45.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -56.89 -62.81 5.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' GLY . 5.0 m-20 -35.55 -49.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.731 0.3 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 48' ' ' LEU . 23.2 mm -58.68 -62.5 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 66' ' ' ILE . 8.3 t70 -41.69 -30.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.48 28.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.71 -37.64 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -109.9 29.51 7.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -61.97 -14.58 36.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.14 -3.16 59.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.3 mt -122.05 143.65 49.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -71.15 101.5 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 58' ' ' ASP . 15.2 mt -90.68 133.85 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -94.45 -40.46 9.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.5 t -174.36 148.83 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.8 t -116.82 138.13 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -114.68 104.1 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CB ' ' A' ' 84' ' ' CYS . 95.8 mt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.55 144.04 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.3 mtp85 -137.54 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -73.52 179.65 3.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -111.81 -29.46 7.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.1 -67.46 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.1 p -84.54 -28.06 26.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 69.79 47.0 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -120.52 157.49 29.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -55.16 129.96 40.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -80.42 -41.69 24.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 127.44 24.92 1.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 83' ' ' PHE . 4.9 p90 -162.48 143.97 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.841 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.565 ' CB ' HD23 ' A' ' 71' ' ' LEU . 29.7 p -154.09 163.54 39.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -105.59 134.11 49.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.2 t -111.15 122.37 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -91.43 114.57 27.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 64.1 m-85 -88.11 172.89 9.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -92.58 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -105.78 151.78 24.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 41' ' ' TYR . 8.8 p -53.11 -22.51 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.83 -45.96 76.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 69.0 m -55.88 -44.02 77.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 43' ' ' ALA . 12.5 tp -68.76 -43.37 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -50.83 -43.97 59.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -71.54 -44.8 63.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.56 -28.93 63.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 35' ' ' LEU . 42.4 mt -68.75 -14.72 63.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 p -83.7 -12.87 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' HB2' HG21 ' A' ' 112' ' ' VAL . 29.1 m-85 -75.18 -5.87 46.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.56 95.02 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.17 -11.11 4.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.03 166.32 13.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -108.56 132.98 53.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB2' HD21 ' A' ' 110' ' ' LEU . 12.3 tp -109.55 98.73 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.25 -118.28 10.84 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -98.54 17.98 17.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.758 0.313 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -142.16 -176.11 4.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.7 m -108.08 175.67 5.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD21 ' HB2' ' A' ' 105' ' ' LEU . 80.8 mt -119.63 143.02 47.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 99.61 4.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.522 HG21 ' HB2' ' A' ' 100' ' ' TYR . 4.5 t -114.5 107.87 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -131.3 157.74 42.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 34' ' ' GLU . 33.3 mt -62.43 140.04 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 44' ' ' TYR . . . -119.26 50.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -91.61 84.54 5.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -66.2 139.99 38.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -77.09 95.71 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -117.75 81.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -76.59 112.49 13.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.82 161.84 15.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -69.46 -52.37 27.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 32.0 p -171.45 143.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.74 83.2 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.22 154.19 66.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.627 2.218 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 t -128.88 148.3 50.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.4 p -79.09 115.13 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.547 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' GLY . 3.5 m 34.45 50.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.886 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -58.17 132.1 52.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.51 -155.82 21.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -72.72 137.97 46.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -123.96 112.9 17.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.64 172.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' HB2' HD12 ' A' ' 114' ' ' ILE . 37.8 mttt -56.99 178.46 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.728 0.299 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.811 ' O ' HD13 ' A' ' 114' ' ' ILE . 2.6 mp0 -61.47 128.29 35.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.9 mt -102.62 151.92 38.33 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.596 0.712 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.37 146.17 67.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.6 p -102.79 -25.34 13.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' CD ' ' HD2' ' A' ' 39' ' ' PRO . 7.9 tp10 -132.39 140.28 37.42 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.504 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 50.4 Cg_endo -72.64 168.98 23.02 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.7 Cg_endo -69.75 -179.16 18.4 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.32 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.478 ' CE2' ' HB3' ' A' ' 39' ' ' PRO . 31.9 m-85 -124.28 109.35 13.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -110.76 145.29 38.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.943 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -130.1 151.45 50.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.9 t80 -101.01 132.44 46.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.23 125.78 60.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.12 -174.43 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 65.83 38.1 5.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 52' ' ' THR . 67.7 mt -93.65 154.66 41.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.596 0.712 . . . . 0.0 110.952 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -47.11 155.26 1.02 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -50.94 -38.52 50.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -118.04 76.65 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.612 HG21 HD13 ' A' ' 48' ' ' LEU . 23.0 m -98.93 98.97 9.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 54' ' ' GLN . 27.5 m -89.41 157.57 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' VAL . 2.2 tp60 -35.86 -49.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -46.06 -61.14 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.554 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -34.89 -64.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -47.1 -52.21 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.066 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -49.38 -45.97 46.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.97 -48.84 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.0 mt -51.21 -54.9 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 66' ' ' ILE . 66.0 m-85 -105.46 33.8 3.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 14.5 pttp -57.3 -44.29 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 18.7 m-20 -57.98 -40.24 80.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 93' ' ' SER . 37.4 mt -76.53 174.46 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -97.75 100.76 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 61' ' ' PHE . 72.4 mt -90.81 108.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -65.86 -50.57 64.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.7 t -166.94 155.89 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' CD ' ' A' ' 54' ' ' GLN . 98.3 t -121.48 133.91 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.112 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -123.12 108.89 13.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 84' ' ' CYS . 37.7 mt -93.58 148.86 21.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -111.39 142.54 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 73' ' ' ARG . 26.3 mtm105 -135.14 166.14 23.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -83.57 162.59 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -95.35 -1.6 50.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -113.2 -39.5 4.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.418 ' C ' ' OD1' ' A' ' 78' ' ' ASP . 62.8 p -106.93 -38.02 6.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 77' ' ' THR . 0.5 OUTLIER 69.55 38.55 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -119.49 146.33 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.563 ' CE2' ' HA2' ' A' ' 82' ' ' GLY . 32.2 t80 -42.78 123.53 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -74.96 -37.02 62.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 80' ' ' PHE . . . 128.39 8.77 3.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -153.54 141.54 20.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.55 ' HB3' HD23 ' A' ' 71' ' ' LEU . 30.0 p -147.63 172.96 13.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -113.16 125.27 54.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 72.2 t -110.37 123.37 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -92.98 152.88 19.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.441 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 95.9 m-85 -130.3 157.75 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -68.47 -66.06 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -105.96 174.23 5.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 92' ' ' ASP . 10.9 p -67.25 -43.96 87.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 91' ' ' VAL . 39.9 t0 -40.23 -59.41 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.528 ' HA ' HD22 ' A' ' 64' ' ' LEU . 58.4 m -42.32 -44.19 3.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.943 HD13 ' HB2' ' A' ' 43' ' ' ALA . 13.5 tp -71.94 -58.3 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.5 tttt -43.01 -30.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -85.47 -41.81 15.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.43 -15.31 48.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 95' ' ' LYS . 73.7 mt -72.91 -35.11 67.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.3 p -66.07 -9.7 33.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -85.21 1.89 46.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 3.5 p-10 -81.76 48.36 1.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -170.54 -39.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.1 174.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.4 mt -113.99 129.59 56.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.5 tp -106.08 97.18 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 61.61 -113.4 5.68 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.81 24.05 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.797 0.332 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 0.9 OUTLIER -151.54 -175.68 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.3 t -113.88 167.78 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.59 140.25 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -132.17 100.42 5.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.4 t -114.6 111.26 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -122.31 154.88 37.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 34' ' ' GLU . 64.3 mt -66.9 117.79 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.69 83.44 6.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -99.51 47.18 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 46.81 -120.66 5.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -157.21 106.18 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -54.05 123.58 13.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -149.99 108.15 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.78 133.27 53.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -63.76 -39.11 93.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.7 m 47.64 47.76 17.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -127.92 97.69 0.46 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -73.42 94.04 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.2 t -60.59 173.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.7 t -167.36 131.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.4 m -117.1 142.92 46.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 m -112.94 106.51 14.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.9 -86.13 1.43 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.8 p -168.73 139.51 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.1 m -140.49 169.45 17.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 159.28 -88.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -85.81 123.18 30.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.63 160.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 55.6 mt -115.44 154.41 47.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -48.07 132.14 22.47 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.368 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.2 m -86.24 -40.71 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -134.79 153.18 78.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.641 0.734 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.51 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 54.8 Cg_endo -75.55 168.87 23.55 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.76 -179.03 18.04 Favored 'Cis proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.376 -0.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -121.02 103.48 9.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.7 m -103.29 144.83 30.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.162 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.795 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -129.24 145.45 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' HB2' ' CE2' ' A' ' 85' ' ' TYR . 4.8 t80 -99.05 136.04 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 t -134.67 114.68 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -120.44 178.23 16.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.07 43.8 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.852 0.358 . . . . 0.0 110.842 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.52 143.06 27.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 110.943 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -49.21 164.75 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.365 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -71.28 -34.57 70.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -89.41 48.07 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 m -109.55 121.11 44.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 m -118.35 168.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' N ' HD11 ' A' ' 71' ' ' LEU . 25.0 tt0 -43.16 -59.63 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -42.91 -62.67 2.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLY . 2.4 t70 -36.07 -52.65 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.449 HD13 HD12 ' A' ' 60' ' ' ILE . 40.0 mm -62.32 -45.29 99.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.476 ' HA ' HD13 ' A' ' 66' ' ' ILE . 6.7 t70 -51.78 -30.17 21.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.88 -47.24 15.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.449 HD12 HD13 ' A' ' 57' ' ' ILE . 81.9 mt -49.66 -47.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.47 ' HD1' HD12 ' A' ' 64' ' ' LEU . 98.3 m-85 -105.19 34.62 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -60.26 -32.43 71.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -65.51 -41.98 92.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD12 ' HD1' ' A' ' 61' ' ' PHE . 45.4 mt -81.08 163.19 23.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.3 p -82.8 101.57 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 58' ' ' ASP . 57.2 mt -90.21 114.25 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -78.39 -64.18 1.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.4 m -149.57 136.88 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 81.4 t -106.85 117.56 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -103.14 122.28 44.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD23 ' CB ' ' A' ' 84' ' ' CYS . 51.1 mt -105.41 108.96 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 73' ' ' ARG . 96.3 t -52.56 154.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 72' ' ' VAL . 10.4 ttm-85 -155.7 143.91 20.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' CB ' ' OG1' ' A' ' 77' ' ' THR . 4.6 m-20 -58.22 168.59 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -90.04 -26.51 20.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.69 -53.31 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 74' ' ' ASP . 58.6 p -71.38 -19.1 62.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' C ' ' HG2' ' A' ' 73' ' ' ARG . 5.5 p-10 37.44 52.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -125.55 150.63 47.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -51.76 113.01 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -56.37 15.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.05 -25.41 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -120.06 170.95 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.935 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.516 ' CB ' HD23 ' A' ' 71' ' ' LEU . 15.7 p -159.74 158.93 32.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.455 ' CE2' ' HB2' ' A' ' 44' ' ' TYR . 96.1 m-85 -107.76 121.32 44.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -104.18 123.44 57.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -93.39 145.26 24.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 93' ' ' SER . 88.0 m-85 -119.22 157.22 28.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.57 -58.65 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -105.36 168.55 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.9 p -69.95 -32.87 53.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' SER . 2.9 t0 -54.43 -62.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.558 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 22.8 m -37.77 -53.42 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 43' ' ' ALA . 15.3 tp -60.42 -53.54 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HA ' HD12 ' A' ' 98' ' ' LEU . 8.1 mtpm? -45.63 -45.91 14.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -65.06 -47.55 76.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.78 -28.1 32.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 95' ' ' LYS . 87.0 mt -59.38 -25.15 64.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 101' ' ' ASP . 21.3 p -74.76 -40.14 61.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -45.81 -21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.9 p-10 -58.38 92.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.32 -14.18 3.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -84.33 166.11 17.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mt -110.01 133.56 53.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 tp -102.78 90.02 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 66.82 -111.31 4.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -99.16 12.58 35.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -136.59 -177.69 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -113.92 167.43 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.2 mt -114.51 140.36 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -134.48 99.16 4.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.69 136.77 43.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -149.63 158.39 44.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.79 111.72 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.25 105.48 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -44.01 153.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -94.97 126.88 8.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 80.28 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.914 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.8 tttt -85.3 159.45 20.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -130.3 153.79 48.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -130.77 155.53 46.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.08 170.63 10.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 85.0 p -139.86 171.68 13.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -49.35 171.42 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.79 146.11 42.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 57.2 p -104.27 175.3 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.4 t 55.18 42.21 30.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.471 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.1 p -110.47 16.55 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.2 m -109.71 132.52 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.79 -41.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -119.8 -56.01 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 99.4 p -86.69 146.38 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.37 -46.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 114' ' ' ILE . 15.1 mmmt -53.89 108.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LYS . 3.4 tt0 -35.07 136.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.72 HD13 ' CG2' ' A' ' 91' ' ' VAL . 39.5 mt -73.85 154.42 89.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.593 0.711 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -49.33 117.29 2.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 p -45.73 -38.95 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -146.51 155.27 49.35 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.687 0.756 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.501 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 38.2 Cg_endo -67.58 169.7 15.28 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.8 Cg_endo -69.68 159.77 88.88 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.365 -0.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -100.75 83.89 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 43' ' ' ALA . 98.3 m -95.53 153.07 17.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.804 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -132.47 151.91 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -101.82 128.18 48.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 t -128.35 110.34 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.61 -174.02 13.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.19 48.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD13 HD11 ' A' ' 57' ' ' ILE . 16.8 mt -123.18 142.7 39.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.609 0.718 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -49.03 159.16 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.323 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -71.01 -6.38 38.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -96.36 8.71 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.408 HG21 HD13 ' A' ' 48' ' ' LEU . 54.1 m -86.6 121.68 29.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.11 170.25 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.619 ' N ' HD11 ' A' ' 71' ' ' LEU . 13.4 tt0 -41.16 -51.19 3.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.5 -44.12 45.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.92 -63.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 HD13 ' A' ' 48' ' ' LEU . 43.9 mm -44.77 -47.08 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -60.11 -40.81 90.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -65.9 -39.95 91.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.7 mt -58.36 -58.53 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' C ' HD11 ' A' ' 66' ' ' ILE . 27.4 m-85 -94.49 27.69 2.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' CD ' ' O ' ' A' ' 59' ' ' ALA . 18.6 ptmt -57.28 -53.71 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.33 -37.51 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.52 -175.31 5.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -102.82 107.48 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.408 HD11 ' C ' ' A' ' 61' ' ' PHE . 11.6 mt -103.01 104.81 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -64.1 -49.58 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -163.41 157.53 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.6 t -129.52 131.35 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtm-85 -111.89 105.8 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' N ' ' A' ' 54' ' ' GLN . 41.9 mt -90.07 134.56 34.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.434 HG12 ' HG3' ' A' ' 81' ' ' LYS . 95.2 t -99.91 126.89 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.07 158.35 44.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -56.6 -175.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -107.49 -44.97 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -71.19 -52.6 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 65.5 p -88.7 -32.58 17.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 64.46 36.31 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -100.3 152.06 20.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -54.02 114.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HG3' HG12 ' A' ' 72' ' ' VAL . 20.0 mmtt -59.74 -48.28 82.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.35 -25.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -121.36 148.93 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 10.4 p -147.25 177.7 8.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -126.28 126.36 43.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.3 t -105.87 134.62 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -97.75 145.98 25.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -126.0 132.03 52.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -61.36 -53.27 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -112.63 150.33 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.72 ' CG2' HD13 ' A' ' 35' ' ' LEU . 14.4 p -58.66 -37.34 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -43.87 -63.24 0.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 m -43.36 -61.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.804 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.5 tp -47.02 -60.97 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.3 -38.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -80.53 -36.21 33.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.69 -15.13 62.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 112' ' ' VAL . 67.4 mt -78.69 -24.28 45.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.8 p -59.23 -21.81 60.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.486 ' HB2' HG21 ' A' ' 112' ' ' VAL . 6.0 m-85 -68.99 -2.23 9.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 17.3 p-10 -71.01 98.24 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.32 -3.31 11.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.14 165.34 15.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 111.092 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -111.92 134.37 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.41 HD22 HD21 ' A' ' 110' ' ' LEU . 26.6 tp -108.38 93.24 4.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 65.74 -114.56 6.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.528 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -100.03 20.95 13.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -145.19 -177.74 5.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 t -110.67 171.99 7.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.41 HD21 HD22 ' A' ' 105' ' ' LEU . 50.2 mt -117.69 143.5 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 101.96 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' HB2' ' A' ' 100' ' ' TYR . 3.6 t -116.34 130.96 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -153.71 163.21 40.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.58 HD12 ' HB3' ' A' ' 33' ' ' LYS . 85.4 mt -84.68 118.91 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.85 79.6 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -44.94 152.8 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -116.0 -171.2 16.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -43.54 167.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.88 -179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -158.44 152.7 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -80.96 -179.73 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.21 148.07 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -121.02 113.08 19.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.7 t -150.64 135.69 17.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -148.34 -73.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.91 -31.45 15.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.9 m -72.08 108.37 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 9.3 t -130.75 82.32 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.433 -179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t 68.81 51.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.84 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.9 m -117.07 149.16 40.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.75 171.02 34.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.465 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.8 p -116.4 102.82 9.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -42.89 -56.86 3.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.823 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.83 166.6 20.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -87.86 166.02 14.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.734 0.302 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -93.69 146.57 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 98' ' ' LEU . 26.6 mt -90.39 157.0 45.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.605 0.716 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.9 123.24 9.55 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.297 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 37' ' ' THR . 17.3 m -99.8 38.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -175.13 140.98 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.675 0.75 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.498 ' HA ' ' C ' ' A' ' 40' ' ' PRO . 55.4 Cg_endo -80.04 168.83 18.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.357 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 39' ' ' PRO . 53.6 Cg_endo -69.79 167.77 69.96 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.598 -1.834 . . . . 0.0 112.392 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -104.39 106.43 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -108.45 142.99 38.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 94' ' ' LEU . . . -126.99 154.44 44.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 44' ' ' TYR . 2.4 t80 -113.04 136.91 52.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.976 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.6 t -136.87 124.83 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.86 -177.2 14.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.32 48.63 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.73 144.0 31.07 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.626 0.727 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -48.48 155.65 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.593 ' CE2' ' ND2' ' A' ' 51' ' ' ASN . 38.3 p90 -70.57 -4.35 22.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.593 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 68.8 m-20 -120.7 39.31 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 78.8 m -96.11 131.14 42.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.66 168.52 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -46.18 -47.1 17.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.82 -64.89 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.38 -57.86 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' A' ' 60' ' ' ILE . 46.0 mm -50.37 -61.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -41.36 -43.81 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.73 62.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 57' ' ' ILE . 64.3 mt -48.55 -53.82 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.963 ' HB2' HD11 ' A' ' 66' ' ' ILE . 31.2 m-85 -101.04 30.07 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -55.04 -51.15 67.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -50.66 -40.03 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.58 160.88 29.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -91.2 82.21 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.963 HD11 ' HB2' ' A' ' 61' ' ' PHE . 90.3 mt -72.39 112.05 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -63.66 -46.51 85.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -173.92 140.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.8 t -106.81 124.77 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -107.89 115.46 30.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD23 ' CB ' ' A' ' 84' ' ' CYS . 32.4 mt -103.7 118.66 37.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG12 ' HG3' ' A' ' 81' ' ' LYS . 24.0 t -76.7 144.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -140.78 150.33 43.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -57.75 172.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -95.86 -38.45 10.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -87.25 -74.86 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.7 p -60.6 -20.73 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 50.77 35.16 11.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -101.37 167.48 10.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.43 137.35 53.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.836 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.665 ' HG3' HG12 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -81.0 -68.15 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.78 -24.17 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -123.52 149.07 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' CB ' HD23 ' A' ' 71' ' ' LEU . 17.9 p -143.01 156.37 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -111.98 127.97 56.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.459 HG13 HG23 ' A' ' 66' ' ' ILE . 84.9 t -107.53 119.34 56.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -88.47 160.31 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 92.8 m-85 -141.5 176.7 8.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -99.66 -49.57 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -110.88 175.44 5.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 92' ' ' ASP . 3.9 p -80.2 -42.21 21.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.457 ' N ' ' CG1' ' A' ' 91' ' ' VAL . 3.4 p30 -44.14 -42.53 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.476 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 62.1 m -58.26 -60.89 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 43' ' ' ALA . 17.8 tp -53.34 -48.09 68.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -54.28 -48.91 70.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.82 -26.95 68.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.62 -30.54 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 35' ' ' LEU . 58.1 mt -66.01 -11.11 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 31.0 p -79.8 -31.07 40.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.89 -16.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -59.39 95.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.89 -14.21 4.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.45 164.73 20.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.2 tp -105.87 90.11 3.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.85 -110.89 3.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.3 p-10 -99.83 5.78 45.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -130.44 -176.89 4.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 p -114.66 179.71 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.7 mt -124.98 140.6 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 tpp85 -128.33 99.66 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.61 118.36 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -139.12 165.73 26.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 33.8 mt -66.64 126.13 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.1 88.83 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.078 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -104.16 -46.07 4.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 131.69 100.03 0.8 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -82.45 -53.46 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 110.844 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -66.14 -51.31 59.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -107.34 110.8 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -102.95 153.23 20.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -62.94 123.98 19.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 t -95.78 88.82 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.829 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -91.9 -85.36 1.48 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.67 126.01 12.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.2 m -92.63 -50.06 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.3 p -140.77 143.77 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.518 -180.0 . . . . . . . . 0 0 . 1 stop_ save_